 Entering Gaussian System, Link 0=g16
 Input=16_3carene_STD_M11-augccpVDZr.in
 Output=16_3carene_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/16_3carene_STD/Gau-229516.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/16_3carene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    229517.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=16_3carene_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 22:28:39 2021, MaxMem= 17179869184 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "16_3carene_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.576059000000     -0.547983000000     -0.947443000000
  C                                                 0.890468000000      0.902427000000     -0.657284000000
  C                                                -0.802273000000     -1.098603000000     -0.653320000000
  C                                                -1.791447000000     -0.132514000000     -0.059048000000
  C                                                -3.143825000000     -0.710364000000      0.239514000000
  C                                                -1.497746000000      1.141771000000      0.186488000000
  C                                                -0.177796000000      1.802825000000     -0.074903000000
  C                                                 1.553152000000     -0.190698000000      0.146729000000
  H                                                 1.028285000000     -0.960644000000     -1.841695000000
  H                                                 1.539725000000      1.397239000000     -1.369979000000
  H                                                -3.606037000000     -1.117137000000     -0.665576000000
  H                                                -3.817128000000      0.036487000000      0.660286000000
  H                                                -3.065712000000     -1.539941000000      0.949730000000
  H                                                 0.180173000000      2.267717000000      0.852903000000
  H                                                -0.342920000000      2.638631000000     -0.763675000000
  C                                                 1.181093000000     -0.401023000000      1.596800000000
  C                                                 3.016369000000     -0.450660000000     -0.138002000000
  H                                                 0.128051000000     -0.210909000000      1.793600000000
  H                                                 1.766600000000      0.261136000000      2.240469000000
  H                                                 1.400175000000     -1.428043000000      1.901625000000
  H                                                 3.251657000000     -0.290389000000     -1.191686000000
  H                                                 3.287167000000     -1.480442000000      0.112381000000
  H                                                 3.654322000000      0.213667000000      0.452009000000
  H                                                -0.731082000000     -1.975159000000      0.004567000000
  H                                                -1.231206000000     -1.482577000000     -1.585866000000
  H                                                -2.266393000000      1.779290000000      0.613726000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12          12           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           0           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul  9 22:28:40 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.576059   -0.547983   -0.947443
      2          6           0        0.890468    0.902427   -0.657284
      3          6           0       -0.802273   -1.098603   -0.653320
      4          6           0       -1.791447   -0.132514   -0.059048
      5          6           0       -3.143825   -0.710364    0.239514
      6          6           0       -1.497746    1.141771    0.186488
      7          6           0       -0.177796    1.802825   -0.074903
      8          6           0        1.553152   -0.190698    0.146729
      9          1           0        1.028285   -0.960644   -1.841695
     10          1           0        1.539725    1.397239   -1.369979
     11          1           0       -3.606037   -1.117137   -0.665576
     12          1           0       -3.817128    0.036487    0.660286
     13          1           0       -3.065712   -1.539941    0.949730
     14          1           0        0.180173    2.267717    0.852903
     15          1           0       -0.342920    2.638631   -0.763675
     16          6           0        1.181093   -0.401023    1.596800
     17          6           0        3.016369   -0.450660   -0.138002
     18          1           0        0.128051   -0.210909    1.793600
     19          1           0        1.766600    0.261136    2.240469
     20          1           0        1.400175   -1.428043    1.901625
     21          1           0        3.251657   -0.290389   -1.191686
     22          1           0        3.287167   -1.480442    0.112381
     23          1           0        3.654322    0.213667    0.452009
     24          1           0       -0.731082   -1.975159    0.004567
     25          1           0       -1.231206   -1.482577   -1.585866
     26          1           0       -2.266393    1.779290    0.613726
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.512195   0.000000
     3  C    1.513106   2.620975   0.000000
     4  C    2.562605   2.936266   1.504976   0.000000
     5  C    3.908039   4.436312   2.535892   1.500659   0.000000
     6  C    2.905466   2.544170   2.491633   1.330545   2.478466
     7  C    2.618381   1.513629   3.023710   2.519853   3.900296
     8  C    1.509826   1.510136   2.648093   3.351428   4.726548
     9  H    1.083736   2.211980   2.186827   3.437225   4.669108
    10  H    2.211578   1.083655   3.496825   3.892993   5.382202
    11  H    4.230049   4.929226   2.803852   2.151766   1.094665
    12  H    4.714498   4.964605   3.478986   2.156244   1.090033
    13  H    4.224422   4.919249   2.808506   2.149938   1.094855
    14  H    3.365433   2.156200   3.816545   3.237290   4.504906
    15  H    3.321566   2.132362   3.766975   3.205304   4.479646
    16  C    2.619320   2.619988   3.079513   3.413198   4.543438
    17  C    2.572893   2.572927   3.907353   4.818978   6.177213
    18  H    2.797793   2.797790   2.764222   2.668880   3.656475
    19  H    3.497834   3.094484   4.101465   4.254696   5.390724
    20  H    3.093681   3.498415   3.389255   3.963469   4.891381
    21  H    2.699043   2.698816   4.168620   5.171140   6.567108
    22  H    3.056602   3.466210   4.177992   5.257244   6.478182
    23  H    3.466162   3.056765   4.775463   5.480641   6.863949
    24  H    2.156797   3.368675   1.098287   2.126914   2.734271
    25  H    2.132430   3.324456   1.095930   2.113697   2.754349
    26  H    3.991614   3.514275   3.468619   2.081632   2.666139
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.499195   0.000000
     8  C    3.329419   2.649422   0.000000
     9  H    3.861931   3.494703   2.195935   0.000000
    10  H    3.422584   2.188972   2.195934   2.458394   0.000000
    11  H    3.205241   4.541796   5.304277   4.783794   5.770367
    12  H    2.612598   4.111592   5.399561   5.543664   5.888081
    13  H    3.198849   4.534756   4.878439   4.988833   5.934486
    14  H    2.127740   1.097766   2.903026   4.289810   2.747238
    15  H    2.115898   1.095557   3.525483   3.999639   2.335168
    16  C    3.397848   3.081901   1.511744   3.487087   3.487713
    17  C    4.797746   3.909586   1.513161   2.667420   2.667016
    18  H    2.656270   2.764050   2.177959   3.819410   3.819319
    19  H    3.956047   3.393881   2.152548   4.324571   3.791772
    20  H    4.235987   4.103068   2.152692   3.790674   4.324938
    21  H    5.148522   4.170120   2.164766   2.411459   2.410516
    22  H    5.456820   4.777121   2.161349   3.031691   3.678586
    23  H    5.241725   4.181888   2.161394   3.679151   3.031832
    24  H    3.214984   3.819110   2.902109   2.744685   4.291737
    25  H    3.177969   3.766503   3.524697   2.333059   4.002250
    26  H    1.086177   2.199318   4.322946   4.938748   4.309012
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.770118   0.000000
    13  H    1.754972   1.770178   0.000000
    14  H    5.300793   4.581911   5.004339   0.000000
    15  H    4.976279   4.568253   5.273501   1.739117   0.000000
    16  C    5.343012   5.103987   4.444231   2.945742   4.139318
    17  C    6.676735   6.897192   6.273867   4.051601   4.606518
    18  H    4.562040   4.112182   3.560697   2.651644   3.857635
    19  H    6.261786   5.807363   5.316119   2.910061   4.373493
    20  H    5.634655   5.559318   4.567578   4.030740   5.165273
    21  H    6.927357   7.314668   6.786471   4.489796   4.656537
    22  H    6.946472   7.285072   6.408102   4.924478   5.559835
    23  H    7.465444   7.476452   6.962882   4.055804   4.830764
    24  H    3.074193   3.741706   2.556021   4.421771   4.693391
    25  H    2.572995   3.746965   3.130168   4.690873   4.295277
    26  H    3.438103   2.333304   3.430613   2.506282   2.517032
                   16         17         18         19         20
    16  C    0.000000
    17  C    2.525914   0.000000
    18  H    1.088012   3.482951   0.000000
    19  H    1.093427   2.779514   1.762771   0.000000
    20  H    1.093474   2.779827   1.763912   1.761365   0.000000
    21  H    3.474929   1.091466   4.321477   3.780114   3.780319
    22  H    2.793599   1.093835   3.797134   3.142288   2.600938
    23  H    2.793788   1.093813   3.796672   2.600834   3.142893
    24  H    2.944405   4.048186   2.655433   4.029726   2.905240
    25  H    4.137428   4.604678   3.858174   5.164128   4.369180
    26  H    4.195874   5.783195   3.329618   4.606096   5.038789
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.765808   0.000000
    23  H    1.765770   1.766396   0.000000
    24  H    4.486834   4.050024   4.921680   0.000000
    25  H    4.655400   4.826981   5.558648   1.738459   0.000000
    26  H    6.163762   6.459042   6.126352   4.101724   4.068119
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.576059   -0.547983   -0.947443
      2          6           0        0.890468    0.902427   -0.657284
      3          6           0       -0.802273   -1.098603   -0.653320
      4          6           0       -1.791447   -0.132514   -0.059048
      5          6           0       -3.143825   -0.710364    0.239514
      6          6           0       -1.497746    1.141771    0.186488
      7          6           0       -0.177796    1.802825   -0.074903
      8          6           0        1.553152   -0.190698    0.146729
      9          1           0        1.028285   -0.960644   -1.841695
     10          1           0        1.539725    1.397239   -1.369979
     11          1           0       -3.606037   -1.117137   -0.665576
     12          1           0       -3.817128    0.036487    0.660286
     13          1           0       -3.065712   -1.539941    0.949730
     14          1           0        0.180173    2.267717    0.852903
     15          1           0       -0.342920    2.638631   -0.763675
     16          6           0        1.181093   -0.401023    1.596800
     17          6           0        3.016369   -0.450660   -0.138002
     18          1           0        0.128051   -0.210909    1.793600
     19          1           0        1.766600    0.261136    2.240469
     20          1           0        1.400175   -1.428043    1.901625
     21          1           0        3.251657   -0.290389   -1.191686
     22          1           0        3.287167   -1.480442    0.112381
     23          1           0        3.654322    0.213667    0.452009
     24          1           0       -0.731082   -1.975159    0.004567
     25          1           0       -1.231206   -1.482577   -1.585866
     26          1           0       -2.266393    1.779290    0.613726
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4724293           0.9589096           0.8790852
 Leave Link  202 at Fri Jul  9 22:28:40 2021, MaxMem= 17179869184 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     18     19     20
 Centers:      21     22     23     24     25     26
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     16     17
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 408 were deleted.
 There are   394 symmetry adapted cartesian basis functions of A   symmetry.
 There are   374 symmetry adapted basis functions of A   symmetry.
   374 basis functions,   662 primitive gaussians,   394 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       551.5317654388 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul  9 22:28:41 2021, MaxMem= 17179869184 cpu:              16.6 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   374 RedAO= T EigKep=  3.57D-06  NBF=   374
 NBsUse=   374 1.00D-06 EigRej= -1.00D+00 NBFU=   374
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   394   394   394   394   394 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Fri Jul  9 22:28:42 2021, MaxMem= 17179869184 cpu:               4.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 22:28:42 2021, MaxMem= 17179869184 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "16_3carene_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 22:28:43 2021, MaxMem= 17179869184 cpu:               5.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179550098 LenY= 17179394421
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.426553657097    
 DIIS: error= 3.06D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.426553657097     IErMin= 1 ErrMin= 3.06D-03
 ErrMax= 3.06D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-02 BMatP= 1.17D-02
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.06D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.431 Goal=   None    Shift=    0.000
 GapD=    0.431 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=3.20D-02 MaxDP=2.62D+00              OVMax= 1.86D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.53D-02    CP:  1.58D+00
 E= -390.438361396305     Delta-E=       -0.011807739208 Rises=F Damp=F
 DIIS: error= 5.32D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.438361396305     IErMin= 2 ErrMin= 5.32D-04
 ErrMax= 5.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.19D-04 BMatP= 1.17D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.32D-03
 Coeff-Com: -0.615D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.612D-01 0.106D+01
 Gap=     0.315 Goal=   None    Shift=    0.000
 RMSDP=6.10D-03 MaxDP=5.50D-01 DE=-1.18D-02 OVMax= 3.93D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.76D-03    CP:  1.69D+00  1.18D+00
 E= -390.438669435373     Delta-E=       -0.000308039068 Rises=F Damp=F
 DIIS: error= 3.20D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.438669435373     IErMin= 3 ErrMin= 3.20D-04
 ErrMax= 3.20D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.25D-05 BMatP= 2.19D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.20D-03
 Coeff-Com: -0.304D-01 0.323D+00 0.707D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.303D-01 0.322D+00 0.708D+00
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=5.46D-04 MaxDP=5.20D-02 DE=-3.08D-04 OVMax= 1.64D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.11D-04    CP:  1.70D+00  1.19D+00  1.09D+00
 E= -390.438722288309     Delta-E=       -0.000052852936 Rises=F Damp=F
 DIIS: error= 8.45D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.438722288309     IErMin= 4 ErrMin= 8.45D-05
 ErrMax= 8.45D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.92D-06 BMatP= 5.25D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.799D-04-0.619D-01 0.193D+00 0.869D+00
 Coeff:     -0.799D-04-0.619D-01 0.193D+00 0.869D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=1.74D-04 MaxDP=1.31D-02 DE=-5.29D-05 OVMax= 6.18D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.12D-05    CP:  1.71D+00  1.19D+00  1.15D+00  1.17D+00
 E= -390.438729483145     Delta-E=       -0.000007194837 Rises=F Damp=F
 DIIS: error= 1.22D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.438729483145     IErMin= 5 ErrMin= 1.22D-05
 ErrMax= 1.22D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-07 BMatP= 5.92D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.169D-02-0.319D-01 0.348D-02 0.189D+00 0.838D+00
 Coeff:      0.169D-02-0.319D-01 0.348D-02 0.189D+00 0.838D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=2.65D-05 MaxDP=1.91D-03 DE=-7.19D-06 OVMax= 1.68D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.60D-05    CP:  1.71D+00  1.19D+00  1.16D+00  1.21D+00  1.16D+00
 E= -390.438729788131     Delta-E=       -0.000000304986 Rises=F Damp=F
 DIIS: error= 4.21D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.438729788131     IErMin= 6 ErrMin= 4.21D-06
 ErrMax= 4.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.43D-08 BMatP= 2.36D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.393D-03-0.299D-02-0.131D-01-0.156D-01 0.223D+00 0.808D+00
 Coeff:      0.393D-03-0.299D-02-0.131D-01-0.156D-01 0.223D+00 0.808D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=8.44D-06 MaxDP=1.01D-03 DE=-3.05D-07 OVMax= 9.05D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.87D-06    CP:  1.71D+00  1.19D+00  1.16D+00  1.22D+00  1.19D+00
                    CP:  1.06D+00
 E= -390.438729822288     Delta-E=       -0.000000034156 Rises=F Damp=F
 DIIS: error= 1.62D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.438729822288     IErMin= 7 ErrMin= 1.62D-06
 ErrMax= 1.62D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.26D-09 BMatP= 2.43D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.377D-04 0.206D-02-0.472D-02-0.234D-01-0.193D-01 0.248D+00
 Coeff-Com:  0.798D+00
 Coeff:     -0.377D-04 0.206D-02-0.472D-02-0.234D-01-0.193D-01 0.248D+00
 Coeff:      0.798D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=3.72D-06 MaxDP=3.98D-04 DE=-3.42D-08 OVMax= 3.25D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.80D-06    CP:  1.71D+00  1.19D+00  1.16D+00  1.23D+00  1.21D+00
                    CP:  1.13D+00  1.21D+00
 E= -390.438729826734     Delta-E=       -0.000000004446 Rises=F Damp=F
 DIIS: error= 4.99D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.438729826734     IErMin= 8 ErrMin= 4.99D-07
 ErrMax= 4.99D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.42D-10 BMatP= 3.26D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.554D-04 0.109D-02-0.534D-03-0.712D-02-0.341D-01 0.566D-02
 Coeff-Com:  0.298D+00 0.737D+00
 Coeff:     -0.554D-04 0.109D-02-0.534D-03-0.712D-02-0.341D-01 0.566D-02
 Coeff:      0.298D+00 0.737D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=1.06D-06 MaxDP=1.15D-04 DE=-4.45D-09 OVMax= 1.43D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.53D-07    CP:  1.71D+00  1.19D+00  1.16D+00  1.23D+00  1.21D+00
                    CP:  1.16D+00  1.30D+00  1.18D+00
 E= -390.438729827325     Delta-E=       -0.000000000591 Rises=F Damp=F
 DIIS: error= 1.26D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.438729827325     IErMin= 9 ErrMin= 1.26D-07
 ErrMax= 1.26D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.73D-11 BMatP= 4.42D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.240D-05-0.975D-04 0.447D-03 0.213D-02-0.233D-02-0.263D-01
 Coeff-Com: -0.598D-01 0.110D+00 0.976D+00
 Coeff:     -0.240D-05-0.975D-04 0.447D-03 0.213D-02-0.233D-02-0.263D-01
 Coeff:     -0.598D-01 0.110D+00 0.976D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=5.60D-07 MaxDP=7.20D-05 DE=-5.91D-10 OVMax= 4.77D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.26D-07    CP:  1.71D+00  1.19D+00  1.16D+00  1.23D+00  1.21D+00
                    CP:  1.16D+00  1.34D+00  1.30D+00  1.33D+00
 E= -390.438729827453     Delta-E=       -0.000000000128 Rises=F Damp=F
 DIIS: error= 3.12D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.438729827453     IErMin=10 ErrMin= 3.12D-08
 ErrMax= 3.12D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-12 BMatP= 2.73D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.383D-05-0.103D-03 0.114D-03 0.953D-03 0.201D-02-0.511D-02
 Coeff-Com: -0.343D-01-0.253D-01 0.164D+00 0.898D+00
 Coeff:      0.383D-05-0.103D-03 0.114D-03 0.953D-03 0.201D-02-0.511D-02
 Coeff:     -0.343D-01-0.253D-01 0.164D+00 0.898D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=1.62D-07 MaxDP=2.25D-05 DE=-1.28D-10 OVMax= 1.36D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.44D-08    CP:  1.71D+00  1.19D+00  1.16D+00  1.23D+00  1.21D+00
                    CP:  1.16D+00  1.35D+00  1.33D+00  1.44D+00  1.26D+00
 E= -390.438729827398     Delta-E=        0.000000000055 Rises=F Damp=F
 DIIS: error= 1.30D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -390.438729827453     IErMin=11 ErrMin= 1.30D-08
 ErrMax= 1.30D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.46D-13 BMatP= 1.59D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.132D-05-0.209D-04-0.691D-05 0.880D-04 0.724D-03 0.876D-03
 Coeff-Com: -0.489D-02-0.132D-01-0.430D-01 0.235D+00 0.824D+00
 Coeff:      0.132D-05-0.209D-04-0.691D-05 0.880D-04 0.724D-03 0.876D-03
 Coeff:     -0.489D-02-0.132D-01-0.430D-01 0.235D+00 0.824D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=4.24D-08 MaxDP=6.13D-06 DE= 5.54D-11 OVMax= 3.44D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.82D-08    CP:  1.71D+00  1.19D+00  1.16D+00  1.23D+00  1.21D+00
                    CP:  1.16D+00  1.35D+00  1.33D+00  1.47D+00  1.37D+00
                    CP:  1.19D+00
 E= -390.438729827446     Delta-E=       -0.000000000049 Rises=F Damp=F
 DIIS: error= 3.70D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -390.438729827453     IErMin=12 ErrMin= 3.70D-09
 ErrMax= 3.70D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.11D-14 BMatP= 2.46D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.360D-06 0.111D-04-0.152D-04-0.112D-03-0.191D-03 0.864D-03
 Coeff-Com:  0.367D-02 0.307D-02-0.306D-01-0.879D-01 0.116D+00 0.995D+00
 Coeff:     -0.360D-06 0.111D-04-0.152D-04-0.112D-03-0.191D-03 0.864D-03
 Coeff:      0.367D-02 0.307D-02-0.306D-01-0.879D-01 0.116D+00 0.995D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=1.87D-08 MaxDP=1.85D-06 DE=-4.85D-11 OVMax= 1.54D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.37D-09    CP:  1.71D+00  1.19D+00  1.16D+00  1.23D+00  1.21D+00
                    CP:  1.16D+00  1.35D+00  1.33D+00  1.48D+00  1.41D+00
                    CP:  1.31D+00  1.33D+00
 E= -390.438729827384     Delta-E=        0.000000000062 Rises=F Damp=F
 DIIS: error= 9.23D-10 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=10 EnMin= -390.438729827453     IErMin=13 ErrMin= 9.23D-10
 ErrMax= 9.23D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-15 BMatP= 2.11D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.128D-06 0.297D-05-0.242D-05-0.242D-04-0.742D-04 0.126D-03
 Coeff-Com:  0.790D-03 0.149D-02-0.342D-02-0.270D-01-0.266D-01 0.189D+00
 Coeff-Com:  0.866D+00
 Coeff:     -0.128D-06 0.297D-05-0.242D-05-0.242D-04-0.742D-04 0.126D-03
 Coeff:      0.790D-03 0.149D-02-0.342D-02-0.270D-01-0.266D-01 0.189D+00
 Coeff:      0.866D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=2.92D-09 MaxDP=2.00D-07 DE= 6.24D-11 OVMax= 2.51D-08

 SCF Done:  E(RM11) =  -390.438729827     A.U. after   13 cycles
            NFock= 13  Conv=0.29D-08     -V/T= 2.0067
 KE= 3.878427896099D+02 PE=-2.006684261827D+03 EE= 6.768709769506D+02
 Leave Link  502 at Fri Jul  9 22:32:37 2021, MaxMem= 17179869184 cpu:            2806.2 elap:             234.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   374
 NBasis=   374 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    374 NOA=    38 NOB=    38 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.11031952D+03

 Leave Link  801 at Fri Jul  9 22:32:37 2021, MaxMem= 17179869184 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8043 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.13D-13 8.33D-09 XBig12= 1.00D+00 2.46D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.13D-13 8.33D-09 XBig12= 1.52D-01 4.50D-02.
     11 vectors produced by pass  2 Test12= 2.13D-13 8.33D-09 XBig12= 2.95D-02 3.81D-02.
     11 vectors produced by pass  3 Test12= 2.13D-13 8.33D-09 XBig12= 2.20D-03 8.43D-03.
     11 vectors produced by pass  4 Test12= 2.13D-13 8.33D-09 XBig12= 1.11D-04 1.48D-03.
     11 vectors produced by pass  5 Test12= 2.13D-13 8.33D-09 XBig12= 7.47D-06 3.79D-04.
     11 vectors produced by pass  6 Test12= 2.13D-13 8.33D-09 XBig12= 3.82D-07 1.06D-04.
     11 vectors produced by pass  7 Test12= 2.13D-13 8.33D-09 XBig12= 7.85D-09 1.56D-05.
     11 vectors produced by pass  8 Test12= 2.13D-13 8.33D-09 XBig12= 1.73D-10 2.08D-06.
     10 vectors produced by pass  9 Test12= 2.13D-13 8.33D-09 XBig12= 3.64D-12 3.37D-07.
      8 vectors produced by pass 10 Test12= 2.13D-13 8.33D-09 XBig12= 7.69D-14 3.59D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.133056D+03
      2  0.405871D+01  0.122221D+03
      3  0.695063D+00  0.238562D+01  0.103254D+03
 Isotropic polarizability for W=    0.085645      119.51 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.188630D+02 -0.490375D+02  0.826973D+01
      2  -0.158732D+00  0.478863D+02 -0.119779D+02
      3   0.190218D+02  0.115119D+01  0.370818D+01
      4  -0.433964D+02 -0.476349D+02 -0.220308D+02
      5   0.219564D+02 -0.199656D+02  0.339093D+02
      6  -0.106807D+02  0.534094D+01 -0.200064D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.833236D+00  0.287188D+00  0.297648D+01
      2   0.844299D+01 -0.776635D+01  0.103269D+02
      3   0.178419D+02  0.273017D+02  0.658037D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.206520D+01  0.173189D+02  0.211576D+02
      2  -0.136866D+02 -0.113501D+02  0.148875D+02
      3   0.564109D+01  0.474762D+02  0.928489D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.766902D-01 -0.172851D+01 -0.185475D+01
      2  -0.172851D+01  0.869282D+00 -0.161168D+01
      3  -0.185475D+01 -0.161168D+01 -0.114534D+01
 OR G Eigenvalues:    -3.7279     1.1723     2.2029  Iso=     0.1176
 Eigenvectors:
   (1)   0.564930   0.453972   0.689031
   (2)  -0.612616  -0.328651   0.718812
   (3)  -0.552771   0.828190  -0.092445
 w=    0.085645 a.u., Optical Rotation Beta=      0.1176 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 5320.0 A) =       40.93 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   70125 ScalPx= 2.98D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.38D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.55D-14 2.78D-09 XBig12= 1.00D+00 3.81D-01.
     30 vectors produced by pass  1 Test12= 3.55D-14 2.78D-09 XBig12= 2.11D-02 1.80D-02.
     30 vectors produced by pass  2 Test12= 3.55D-14 2.78D-09 XBig12= 2.18D-03 5.59D-03.
     30 vectors produced by pass  3 Test12= 3.55D-14 2.78D-09 XBig12= 3.68D-05 6.31D-04.
     30 vectors produced by pass  4 Test12= 3.55D-14 2.78D-09 XBig12= 5.24D-07 1.01D-04.
     30 vectors produced by pass  5 Test12= 3.55D-14 2.78D-09 XBig12= 8.36D-09 7.65D-06.
     30 vectors produced by pass  6 Test12= 3.55D-14 2.78D-09 XBig12= 9.90D-11 9.64D-07.
     30 vectors produced by pass  7 Test12= 3.55D-14 2.78D-09 XBig12= 9.67D-13 8.70D-08.
     13 vectors produced by pass  8 Test12= 3.55D-14 2.78D-09 XBig12= 1.03D-14 8.17D-09.
      2 vectors produced by pass  9 Test12= 3.55D-14 2.78D-09 XBig12= 1.33D-15 4.00D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   255 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 9.53D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 9.53D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.01D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.133056D+03  0.405871D+01  0.695063D+00
      2   0.405871D+01  0.122221D+03  0.238562D+01
      3   0.695063D+00  0.238562D+01  0.103254D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.833236D+00  0.287188D+00  0.297648D+01
      2   0.844299D+01 -0.776635D+01  0.103269D+02
      3   0.178419D+02  0.273017D+02  0.658037D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.188630D+02 -0.490375D+02  0.826973D+01
      2  -0.158732D+00  0.478863D+02 -0.119779D+02
      3   0.190218D+02  0.115119D+01  0.370818D+01
      4  -0.433964D+02 -0.476349D+02 -0.220308D+02
      5   0.219564D+02 -0.199656D+02  0.339093D+02
      6  -0.106807D+02  0.534094D+01 -0.200064D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.266771D+01 -0.559094D+00 -0.198559D+01  0.286437D+00 -0.205636D+01
      2  -0.559094D+00 -0.601731D+00 -0.140508D+01 -0.205636D+01 -0.465589D+01
      3  -0.198559D+01 -0.140508D+01 -0.456523D+01 -0.229745D+00 -0.550098D-01
                 6             7             8             9            10 
      1  -0.229745D+00 -0.400949D+01 -0.260908D+01 -0.437289D+01 -0.223689D+01
      2  -0.550098D-01 -0.260908D+01  0.180543D+01  0.107412D+01  0.103350D+01
      3   0.144695D+01 -0.437289D+01  0.107412D+01  0.448024D-01 -0.570034D-01
                11            12            13            14            15 
      1   0.103350D+01 -0.570034D-01  0.277228D+00 -0.190377D+01  0.146789D+01
      2  -0.129681D+01  0.317327D+01 -0.190377D+01  0.563678D+01  0.514106D+00
      3   0.317327D+01 -0.283662D+01  0.146789D+01  0.514106D+00  0.807870D+00
                16            17            18            19            20 
      1  -0.493514D+00  0.493011D+01 -0.232245D+01 -0.136068D+00 -0.111405D+01
      2   0.493011D+01  0.529600D+00  0.110159D+01 -0.111405D+01 -0.102477D+01
      3  -0.232245D+01  0.110159D+01  0.133469D-02  0.600694D+00  0.138777D+01
                21            22            23            24            25 
      1   0.600694D+00 -0.138970D+01  0.629544D+00  0.128470D+01  0.110346D+01
      2   0.138777D+01  0.629544D+00  0.979507D+01 -0.475513D+00  0.127621D+01
      3   0.186166D+01  0.128470D+01 -0.475513D+00  0.258592D+01  0.327958D+01
                26            27            28            29            30 
      1   0.127621D+01  0.327958D+01 -0.469950D+01 -0.247005D+01 -0.418449D+00
      2  -0.951655D+00  0.502740D+01 -0.247005D+01 -0.353162D+01 -0.984344D+00
      3   0.502740D+01  0.370831D+01 -0.418449D+00 -0.984344D+00 -0.133184D+01
                31            32            33            34            35 
      1  -0.335435D+01 -0.602413D+01 -0.230342D+01 -0.107423D+01 -0.169190D+01
      2  -0.602413D+01 -0.178029D+02 -0.518515D+00 -0.169190D+01 -0.167061D+01
      3  -0.230342D+01 -0.518515D+00 -0.402857D+01 -0.269422D+01 -0.303156D+01
                36            37            38            39            40 
      1  -0.269422D+01  0.297979D+01  0.630222D+00  0.882284D+00 -0.655362D+00
      2  -0.303156D+01  0.630222D+00  0.427200D+01  0.273615D+01  0.596269D+01
      3  -0.170209D+01  0.882284D+00  0.273615D+01  0.201864D+01  0.232905D+01
                41            42            43            44            45 
      1   0.596269D+01  0.232905D+01  0.152025D+01  0.250094D+01  0.424309D+01
      2   0.514803D+01 -0.302808D+01  0.250094D+01 -0.328776D+01  0.436350D+01
      3  -0.302808D+01  0.267876D+01  0.424309D+01  0.436350D+01  0.123438D+01
                46            47            48            49            50 
      1   0.508651D+01  0.161250D+01 -0.451760D+00  0.321317D+01  0.688126D+01
      2   0.161250D+01  0.683756D+01  0.277817D+01  0.688126D+01  0.145998D+02
      3  -0.451760D+00  0.277817D+01  0.157407D+01  0.278214D+01 -0.815582D+00
                51            52            53            54            55 
      1   0.278214D+01  0.534443D-02  0.324218D+01  0.184921D+01 -0.133009D+01
      2  -0.815582D+00  0.324218D+01 -0.103463D+01  0.346536D+01 -0.124043D+01
      3   0.325296D+01  0.184921D+01  0.346536D+01  0.203685D+01 -0.586783D+00
                56            57            58            59            60 
      1  -0.124043D+01 -0.586783D+00 -0.929322D+00 -0.345522D+01 -0.184077D+01
      2  -0.354490D+01 -0.259363D+01 -0.345522D+01 -0.907228D+01  0.120632D+01
      3  -0.259363D+01 -0.767423D+00 -0.184077D+01  0.120632D+01 -0.298962D+01
                61            62            63            64            65 
      1  -0.487053D+00 -0.244330D+01 -0.132302D+01  0.279125D+01  0.185583D+00
      2  -0.244330D+01  0.162854D+01 -0.605459D+01  0.185583D+00  0.154204D+01
      3  -0.132302D+01 -0.605459D+01 -0.183714D+01  0.397137D+01 -0.651178D+00
                66            67            68            69            70 
      1   0.397137D+01  0.371086D+00  0.520217D+01 -0.104662D+00  0.662904D+01
      2  -0.651178D+00  0.520217D+01 -0.424859D+01  0.262989D+01 -0.705072D+00
      3   0.441350D+01 -0.104662D+00  0.262989D+01  0.189786D+00  0.492584D+01
                71            72            73            74            75 
      1  -0.705072D+00  0.492584D+01  0.196875D+01 -0.134707D+01 -0.153051D+01
      2   0.235405D+01  0.186758D+00 -0.134707D+01  0.889764D+00  0.954814D+00
      3   0.186758D+00 -0.191458D+00 -0.153051D+01  0.954814D+00  0.262451D+01
                76            77            78            79            80 
      1  -0.130103D+01  0.580220D+00  0.586496D+00 -0.180231D+01  0.101299D+01
      2   0.580220D+00 -0.172178D+01 -0.208795D+01  0.101299D+01 -0.224584D+01
      3   0.586496D+00 -0.208795D+01 -0.284393D+01  0.215570D+01 -0.289941D+01
                81            82            83            84            85 
      1   0.215570D+01  0.384772D+01  0.186130D+01 -0.191885D+01  0.158297D+01
      2  -0.289941D+01  0.186130D+01  0.184942D+01 -0.176150D+01  0.136227D+01
      3  -0.628265D+01 -0.191885D+01 -0.176150D+01  0.245033D+01 -0.128781D+01
                86            87            88            89            90 
      1   0.136227D+01 -0.128781D+01 -0.240000D+01 -0.182212D+01  0.223193D+01
      2   0.334250D+01 -0.205885D+01 -0.182212D+01 -0.219241D+01  0.214550D+01
      3  -0.205885D+01  0.173621D+01  0.223193D+01  0.214550D+01 -0.332958D+01
                91            92            93            94            95 
      1  -0.458066D+01 -0.187713D+01 -0.227300D+01 -0.241501D+01 -0.286359D+01
      2  -0.187713D+01 -0.143857D+01 -0.120967D+01 -0.286359D+01 -0.306836D+01
      3  -0.227300D+01 -0.120967D+01 -0.187222D+01 -0.120376D+01 -0.115740D+01
                96            97            98            99           100 
      1  -0.120376D+01 -0.509774D+01 -0.272184D+01 -0.337773D+01 -0.602921D+01
      2  -0.115740D+01 -0.272184D+01 -0.220899D+01 -0.271895D+01  0.198771D+01
      3  -0.172892D+01 -0.337773D+01 -0.271895D+01 -0.451825D+01  0.161634D+01
               101           102           103           104           105 
      1   0.198771D+01  0.161634D+01  0.475006D+01 -0.207401D+01 -0.142979D+01
      2  -0.128490D+01 -0.689326D+00 -0.207401D+01  0.202291D+01  0.100474D+01
      3  -0.689326D+00 -0.132720D+01 -0.142979D+01  0.100474D+01  0.102402D+01
               106           107           108           109           110 
      1   0.237670D+01 -0.838287D+00 -0.201391D+01 -0.483199D+00 -0.889459D+00
      2  -0.838287D+00  0.933133D+00  0.418920D+00 -0.889459D+00  0.135832D-01
      3  -0.201391D+01  0.418920D+00  0.140528D+01  0.525354D+00 -0.270686D+00
               111           112           113           114           115 
      1   0.525354D+00 -0.280504D+01 -0.291363D+01  0.744780D+00  0.179782D+01
      2  -0.270686D+00 -0.291363D+01 -0.682646D+01  0.316691D+01  0.106720D+01
      3  -0.240207D+00  0.744780D+00  0.316691D+01 -0.255662D+01 -0.177562D+01
               116           117           118           119           120 
      1   0.106720D+01 -0.177562D+01  0.173416D+01  0.136828D+01  0.131250D+01
      2   0.378643D+01 -0.337695D+01  0.136828D+01  0.184881D+01  0.135101D+01
      3  -0.337695D+01  0.304735D+01  0.131250D+01  0.135101D+01  0.119147D+01
               121           122           123           124           125 
      1   0.129098D+01  0.170396D+01  0.776777D+00  0.252116D+01  0.158134D+01
      2   0.170396D+01  0.604105D+01  0.228756D+01  0.158134D+01  0.459659D+01
      3   0.776777D+00  0.228756D+01  0.205048D+01  0.142277D+01  0.435587D+01
               126           127           128           129           130 
      1   0.142277D+01 -0.470270D+00  0.121297D+01 -0.690774D+00  0.168612D+01
      2   0.435587D+01  0.121297D+01 -0.977029D+00  0.689577D+00  0.509239D+00
      3   0.458034D+01 -0.690774D+00  0.689577D+00 -0.132665D+00  0.224258D+00
               131           132           133           134           135 
      1   0.509239D+00  0.224258D+00 -0.136850D+01  0.335618D+00  0.223795D+00
      2   0.106000D+02 -0.347007D+01  0.335618D+00 -0.525534D+01  0.387103D+01
      3  -0.347007D+01  0.208210D+01  0.223795D+00  0.387103D+01 -0.237011D+01
               136           137           138           139           140 
      1   0.531363D+01 -0.193419D+01 -0.246540D+01 -0.229707D+01 -0.300189D+01
      2  -0.193419D+01 -0.194210D+01 -0.704716D+00 -0.300189D+01  0.475054D+01
      3  -0.246540D+01 -0.704716D+00 -0.314628D+01 -0.740841D+00 -0.476638D+01
               141           142           143           144           145 
      1  -0.740841D+00 -0.305863D+01 -0.381948D+00 -0.340884D+01 -0.176297D+00
      2  -0.476638D+01 -0.381948D+00 -0.341238D+01 -0.128004D+01 -0.174058D+01
      3  -0.169499D+01 -0.340884D+01 -0.128004D+01  0.174321D-01 -0.287494D+01
               146           147           148           149           150 
      1  -0.174058D+01 -0.287494D+01 -0.214210D+01 -0.558981D+01 -0.604707D+00
      2  -0.327875D+01 -0.401806D+00 -0.558981D+01  0.525241D+01 -0.244054D+01
      3  -0.401806D+00 -0.247309D+01 -0.604707D+00 -0.244054D+01 -0.177104D+01
               151           152           153           154           155 
      1  -0.331734D+01 -0.606038D+00 -0.380382D+01 -0.728007D+01  0.100464D+01
      2  -0.606038D+00 -0.288494D+01 -0.165067D+01  0.100464D+01 -0.699373D+00
      3  -0.380382D+01 -0.165067D+01  0.502877D+01  0.931339D+00  0.363144D+00
               156           157           158           159           160 
      1   0.931339D+00  0.132965D+01 -0.384154D+00  0.173504D+00  0.100505D+01
      2   0.363144D+00 -0.384154D+00 -0.228495D+00  0.669892D+00  0.120594D+00
      3  -0.209893D+01  0.173504D+00  0.669892D+00  0.681789D+00 -0.120071D+01
               161           162           163           164           165 
      1   0.120594D+00 -0.120071D+01  0.257723D+01  0.127911D+01  0.264562D+01
      2   0.591166D+00  0.376640D+00  0.127911D+01  0.126609D+01  0.948142D+00
      3   0.376640D+00  0.898560D+00  0.264562D+01  0.948142D+00  0.342606D+01
               166           167           168           169           170 
      1   0.197142D+01  0.157678D+01  0.155672D+01  0.197675D+01  0.786523D+00
      2   0.157678D+01  0.154596D+01  0.238492D+01  0.786523D+00  0.147962D+01
      3   0.155672D+01  0.238492D+01  0.351255D+01  0.260579D+01  0.178626D+01
               171           172           173           174           175 
      1   0.260579D+01  0.681128D+00 -0.113520D+01  0.117536D+01 -0.142030D+01
      2   0.178626D+01 -0.113520D+01  0.134039D+01 -0.543712D+00  0.192678D+01
      3   0.532078D+01  0.117536D+01 -0.543712D+00  0.123524D+01 -0.834217D+00
               176           177           178           179           180 
      1   0.192678D+01 -0.834217D+00  0.672881D+00 -0.379455D+00  0.952059D+00
      2  -0.688986D+01  0.380182D+01 -0.379455D+00  0.191198D+01 -0.176654D+01
      3   0.380182D+01 -0.323840D+01  0.952059D+00 -0.176654D+01  0.222325D+01
               181           182           183           184           185 
      1   0.128612D+01  0.409285D+00 -0.150734D+01  0.871863D+00  0.952740D+00
      2   0.409285D+00  0.502885D+00 -0.569125D-02  0.952740D+00 -0.181440D+00
      3  -0.150734D+01 -0.569125D-02  0.158084D+01 -0.223617D+00 -0.614665D+00
               186           187           188           189           190 
      1  -0.223617D+00 -0.320399D+01  0.108349D+00  0.313954D+01  0.248304D+01
      2  -0.614665D+00  0.108349D+00 -0.790956D+00  0.523388D+00 -0.179234D+01
      3   0.864782D+00  0.313954D+01  0.523388D+00 -0.698901D+01  0.654226D+00
               191           192           193           194           195 
      1  -0.179234D+01  0.654226D+00 -0.419974D+01  0.443523D+01 -0.402351D+00
      2   0.182778D+01 -0.276067D+00  0.443523D+01 -0.767465D+01  0.128948D+01
      3  -0.276067D+00  0.472157D+00 -0.402351D+00  0.128948D+01 -0.114861D+01
               196           197           198           199           200 
      1   0.157607D+01 -0.732532D+00  0.127084D+01  0.639513D+01  0.199255D+01
      2  -0.732532D+00  0.148105D+01 -0.102787D+01  0.199255D+01  0.157890D+01
      3   0.127084D+01 -0.102787D+01  0.380915D+00  0.216625D+01  0.768442D+00
               201           202           203           204           205 
      1   0.216625D+01  0.451344D+01  0.279997D+01  0.128821D+01  0.423764D+01
      2   0.768442D+00  0.279997D+01  0.187732D+01  0.141980D+01  0.103424D+01
      3   0.155251D+01  0.128821D+01  0.141980D+01  0.159515D+01  0.257531D+01
               206           207           208           209           210 
      1   0.103424D+01  0.257531D+01  0.888274D-01 -0.103879D+01  0.382520D+00
      2   0.149493D+01  0.117179D+01 -0.103879D+01  0.234850D-01 -0.391927D+00
      3   0.117179D+01  0.191372D+01  0.382520D+00 -0.391927D+00 -0.244636D+00
               211           212           213           214           215 
      1  -0.163175D+01 -0.580570D+00  0.121281D-01  0.140998D+01  0.141421D+00
      2  -0.580570D+00 -0.927513D+01  0.167467D+01  0.141421D+00  0.414597D+01
      3   0.121281D-01  0.167467D+01 -0.143469D+01 -0.636263D+00 -0.259412D+01
               216           217           218           219           220 
      1  -0.636263D+00 -0.198139D+01 -0.101085D+01 -0.192955D+01 -0.684931D+00
      2  -0.259412D+01 -0.101085D+01 -0.168932D+01 -0.171638D+01 -0.114356D+01
      3   0.974891D+00 -0.192955D+01 -0.171638D+01 -0.204107D+01 -0.919239D+00
               221           222           223           224           225 
      1  -0.114356D+01 -0.919239D+00 -0.270359D+01 -0.145343D+01 -0.234904D+01
      2  -0.385802D+01 -0.230991D+01 -0.145343D+01 -0.296570D+01 -0.423843D+01
      3  -0.230991D+01 -0.227819D+01 -0.234904D+01 -0.423843D+01 -0.662182D+01
               226           227           228           229           230 
      1  -0.516193D+01  0.357157D+01  0.182610D+01  0.308127D+01 -0.253214D+01
      2   0.357157D+01 -0.248286D+01 -0.154479D+01 -0.253214D+01  0.489147D+01
      3   0.182610D+01 -0.154479D+01 -0.132358D+01 -0.110174D+01  0.174838D+01
               231           232           233           234 
      1  -0.110174D+01  0.218423D+01 -0.175271D+01 -0.159695D+01
      2   0.174838D+01 -0.175271D+01  0.216275D+01  0.770974D+00
      3   0.120426D+01 -0.159695D+01  0.770974D+00  0.102514D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.103574D+01  0.622870D+00 -0.122663D+01  0.974546D+00  0.105924D+02
      2  -0.308818D+01 -0.703399D-01 -0.381850D+01 -0.759283D+00 -0.434533D+01
      3   0.306299D+00 -0.300478D+01  0.195775D+01  0.749755D+01  0.899933D+01
                 6             7             8             9            10 
      1  -0.112931D+01  0.177138D+01  0.202406D+01  0.170889D+00 -0.992214D+00
      2  -0.417704D+00 -0.138189D+02 -0.347653D+01 -0.645872D+01 -0.184632D+01
      3   0.337247D+01  0.662871D+01  0.804106D-01  0.423175D+01 -0.122625D+01
                11            12            13            14            15 
      1  -0.419302D+01 -0.429975D+00 -0.215478D+01 -0.966822D+01 -0.454336D+01
      2   0.419813D+01 -0.130312D+01  0.280023D+01  0.425278D+00  0.247758D+01
      3  -0.538719D+01 -0.362467D+01  0.748110D+01 -0.127684D+02  0.253796D+01
                16            17            18            19            20 
      1  -0.452986D+01  0.168431D+01 -0.221632D+01  0.185405D+01  0.398779D+01
      2  -0.660843D+01  0.686770D+01 -0.870997D+00 -0.262685D+01 -0.106148D+01
      3  -0.741588D+01  0.416126D+01 -0.532877D+01 -0.995352D+00 -0.468872D+01
                21            22            23            24            25 
      1   0.239322D+01  0.223939D+01 -0.104598D+02  0.477720D+01  0.467020D+01
      2   0.479009D+00 -0.253075D+01 -0.666479D-01 -0.358815D+01 -0.599295D+01
      3   0.302671D+00  0.537200D+01  0.139943D+02 -0.145952D+01  0.172570D+01
                26            27            28            29            30 
      1   0.180707D+02  0.386084D+01 -0.158737D+00 -0.831406D+00  0.121759D+00
      2  -0.485403D+01 -0.167429D+01 -0.111825D+01  0.604432D+01  0.341822D+01
      3  -0.338354D+01  0.270767D+01 -0.109062D+02 -0.198242D+02 -0.491382D+01
                31            32            33            34            35 
      1   0.336479D+00 -0.362386D+01  0.663443D+00  0.114341D+01  0.103101D+02
      2   0.808707D+01  0.295064D+01  0.107764D+02 -0.307715D+01  0.694624D+01
      3  -0.143907D+02 -0.432317D+02 -0.270291D+01 -0.746583D+01 -0.439529D+01
                36            37            38            39            40 
      1   0.202862D+01  0.140253D+01  0.465099D+01  0.429453D+01  0.390244D+01
      2   0.577349D+01 -0.479747D+01 -0.117851D+02 -0.530726D+01 -0.853881D+01
      3  -0.759879D+01 -0.321910D+01  0.123848D+02  0.947942D+01  0.260767D+02
                41            42            43            44            45 
      1  -0.290487D+01  0.149990D+01  0.830842D+01  0.899281D+01  0.260669D+01
      2   0.104104D+02 -0.104910D+02 -0.207182D+02 -0.203318D+02 -0.600973D+01
      3   0.149973D+02 -0.138859D+02  0.716514D+01 -0.163905D+02  0.124311D+02
                46            47            48            49            50 
      1  -0.383741D+00 -0.257753D+01 -0.148293D+01 -0.156119D+01  0.505630D+01
      2  -0.242896D+01 -0.444426D+01 -0.301829D+01 -0.359922D+01 -0.921854D+00
      3   0.445147D+01  0.801610D+01  0.424949D+01  0.188873D+02  0.459935D+02
                51            52            53            54            55 
      1  -0.428115D+01  0.208482D-01  0.118738D+01 -0.919938D+00  0.154227D+01
      2  -0.882904D+01 -0.135838D+02 -0.106620D+02 -0.433313D+01 -0.177861D+01
      3   0.311371D+01  0.621908D+01  0.361198D+01  0.972329D+01 -0.409158D+01
                56            57            58            59            60 
      1   0.710406D+01  0.229958D+01  0.431474D+01 -0.527917D+01  0.677881D+01
      2   0.833808D+00  0.144111D+01  0.893573D+00  0.769677D+00  0.315338D+00
      3  -0.947522D+01 -0.307315D+01 -0.789175D+00 -0.129737D+02 -0.334341D+01
                61            62            63            64            65 
      1   0.606346D+01  0.232627D+02  0.669092D+01  0.222736D+01  0.312210D+01
      2  -0.272560D+01 -0.179091D+01  0.566228D+00  0.141250D+02 -0.312240D+01
      3  -0.504267D+01 -0.619746D+01 -0.544900D+01 -0.318298D+00 -0.953186D+01
                66            67            68            69            70 
      1   0.195821D+01 -0.401035D+01  0.977194D+00 -0.530799D+01  0.428036D+00
      2   0.151591D+02 -0.942425D-01  0.691580D+01  0.126373D+01  0.370704D+01
      3   0.567280D+00 -0.637522D+01  0.842253D+01 -0.580363D+01 -0.825461D+00
                71            72            73            74            75 
      1   0.633985D+01 -0.446317D+00  0.492392D+00 -0.773515D+00  0.122787D+01
      2   0.127559D+01 -0.247994D+01  0.310274D+01 -0.113941D+01  0.132166D+01
      3  -0.618667D+01 -0.230898D+01 -0.779101D+00 -0.138858D+01  0.431510D+00
                76            77            78            79            80 
      1  -0.114002D+00  0.131418D+01 -0.752729D+00  0.610598D+00  0.358223D+01
      2  -0.181384D+01 -0.105259D+01 -0.189022D+01 -0.382989D+01 -0.539654D+00
      3   0.288803D+01  0.660375D+00  0.126638D+01  0.189286D+01  0.216185D+01
                81            82            83            84            85 
      1  -0.148752D+01  0.113962D+01 -0.268136D+00 -0.200776D+01  0.180803D+00
      2  -0.140258D+01  0.252108D+01 -0.465163D+00  0.271166D+01  0.173179D-02
      3   0.485411D+00  0.380036D+01 -0.190930D+01 -0.459599D+00  0.280766D+01
                86            87            88            89            90 
      1  -0.166529D+01 -0.168752D+01 -0.143885D+01  0.152130D+01  0.293303D+01
      2  -0.959082D+00  0.121680D+01 -0.220735D+01 -0.162849D-01 -0.200899D+01
      3  -0.267877D+01  0.929169D+00 -0.173593D+01  0.150673D+01  0.105016D+01
                91            92            93            94            95 
      1  -0.323156D+01 -0.139484D+01 -0.283096D+01 -0.211784D+01 -0.107382D+01
      2   0.786208D+01  0.460405D+01  0.849319D+01  0.454382D+01  0.444394D+01
      3  -0.238021D+01 -0.574308D+01 -0.264745D+01 -0.645391D+01 -0.908160D+01
                96            97            98            99           100 
      1  -0.327026D+01 -0.468153D+01 -0.233234D+01 -0.569171D+01  0.231309D+01
      2   0.718251D+01  0.105353D+02  0.102602D+02  0.175899D+02 -0.419193D+01
      3  -0.286752D+01 -0.382325D+01 -0.603141D+01 -0.682720D+01  0.117990D+02
               101           102           103           104           105 
      1  -0.175469D+01 -0.101548D+01 -0.165277D+01  0.247733D+01 -0.246332D+00
      2   0.218078D+01  0.630291D+01  0.349253D+01 -0.340644D+01 -0.448426D+01
      3  -0.839752D+01 -0.419706D+01 -0.840993D+01  0.108154D+02  0.482893D+01
               106           107           108           109           110 
      1  -0.201658D+01  0.161537D+01  0.836958D+00 -0.118583D+00 -0.824112D+00
      2   0.481831D+01 -0.134512D+01 -0.495408D+01 -0.175918D+01  0.187309D+01
      3  -0.474592D+01  0.537882D+01  0.282662D+01 -0.299778D+01 -0.622767D+00
               111           112           113           114           115 
      1  -0.450768D+00  0.747397D+00  0.734963D+00 -0.395684D+01 -0.232005D+01
      2   0.120247D+01 -0.108014D+01 -0.107930D+02  0.956154D+01  0.361280D+01
      3  -0.137423D+01 -0.561193D+01 -0.226199D+02  0.109255D+02  0.130361D+01
               116           117           118           119           120 
      1  -0.148989D+01  0.322705D+01 -0.431522D+01 -0.347623D+01 -0.395736D+01
      2   0.115499D+02 -0.105085D+02 -0.138457D+01 -0.108865D+01  0.838601D+00
      3   0.139209D+02 -0.105867D+02  0.586298D+01  0.190035D+01  0.379487D+01
               121           122           123           124           125 
      1  -0.152867D+01 -0.488213D+01 -0.675043D+01 -0.391667D+01 -0.965270D+01
      2  -0.795281D+00 -0.953804D+00  0.852601D-01 -0.225558D+01 -0.677703D+00
      3   0.581270D+01  0.613647D+01  0.239959D+01  0.948120D+01  0.512988D+01
               126           127           128           129           130 
      1  -0.133920D+02  0.147962D+01 -0.206798D+01  0.137363D+00  0.215871D+00
      2  -0.948948D+00  0.594120D+00  0.880900D+00  0.104079D+01  0.366618D+00
      3   0.447496D+01 -0.117137D+01  0.118760D+01 -0.140131D+01  0.766782D+01
               131           132           133           134           135 
      1   0.692436D+01 -0.708809D+01 -0.212898D+01 -0.752388D+01  0.617674D+01
      2  -0.797445D+00 -0.481155D-01 -0.183373D+01  0.120751D+00 -0.742405D-01
      3   0.486106D+01 -0.183803D+00 -0.431285D+01 -0.230042D+00  0.202657D+01
               136           137           138           139           140 
      1  -0.702618D+01 -0.480957D+01 -0.290128D+01 -0.727587D+01  0.825483D+01
      2  -0.178254D+02  0.312368D+01  0.537901D+01  0.380319D+01 -0.239151D+01
      3   0.117299D+00  0.177494D+01  0.260346D+01  0.874187D+01 -0.637065D+01
               141           142           143           144           145 
      1  -0.150272D+02 -0.259800D+01 -0.748068D+01 -0.360149D+01 -0.148718D+01
      2  -0.864958D+00  0.614074D+00 -0.116816D+01  0.589412D+01 -0.102469D+02
      3   0.800331D+01  0.252527D+01  0.567566D+01  0.376680D+01  0.738522D+01
               146           147           148           149           150 
      1  -0.238311D+00 -0.206826D+01  0.488321D+00 -0.223853D+01 -0.239263D+01
      2  -0.163244D+01 -0.997454D+01 -0.237734D+01 -0.103520D+02 -0.622632D+01
      3   0.131927D+02  0.295403D+01  0.258555D+02 -0.170379D+02  0.962535D+01
               151           152           153           154           155 
      1  -0.279181D+01  0.156562D+01  0.333922D+01  0.418056D+01 -0.255578D+01
      2  -0.196126D+02 -0.535454D+01  0.180753D+02  0.226684D+02 -0.301317D+01
      3   0.359466D+01  0.986086D+01  0.792154D+01  0.301301D+01 -0.132095D+01
               156           157           158           159           160 
      1  -0.254588D+00 -0.223546D+01  0.505261D+00  0.255570D+00 -0.731894D+00
      2  -0.166257D+01 -0.384443D+01  0.158718D+01  0.939849D-01 -0.490666D+01
      3  -0.359327D+00  0.197653D+01  0.703936D-01 -0.516530D+00 -0.312437D+00
               161           162           163           164           165 
      1   0.161208D+01  0.880977D+00  0.399638D+01  0.484834D+01  0.291498D+01
      2   0.340839D+00  0.266275D+01 -0.140643D+01 -0.113812D+01  0.212376D+01
      3   0.361312D+00  0.179885D+00 -0.214448D+01 -0.393840D+01 -0.226977D+01
               166           167           168           169           170 
      1   0.409932D+01  0.562204D+01  0.522431D+01  0.307756D+01  0.622432D+01
      2  -0.290712D+01  0.767593D+00  0.297877D+01 -0.287330D+01  0.792567D+00
      3  -0.151603D+01 -0.355870D+01 -0.412321D+01 -0.133341D+01 -0.345513D+01
               171           172           173           174           175 
      1   0.589586D+01 -0.999076D+00  0.282578D+01  0.454261D+00  0.346621D+01
      2   0.339686D+01  0.800022D+00  0.666959D+00  0.718282D+00  0.284964D+01
      3  -0.360917D+01  0.955570D+00 -0.236932D+01  0.308356D+00  0.114108D+01
               176           177           178           179           180 
      1  -0.137011D+02  0.294420D+01 -0.493621D+00  0.478650D+01 -0.186542D+01
      2   0.279933D+01 -0.417819D+01 -0.162845D+01 -0.142012D+01  0.179459D+01
      3   0.996185D+01 -0.527763D+01 -0.696948D+00 -0.280204D+01  0.208483D+01
               181           182           183           184           185 
      1  -0.103002D+01 -0.579475D+00  0.885104D+00 -0.122006D+00 -0.452782D+00
      2  -0.518830D+01  0.153094D+00  0.639526D+01  0.847581D-01 -0.144794D+01
      3  -0.192460D+01 -0.247459D+01  0.945058D+00 -0.226306D+01 -0.103409D+00
               186           187           188           189           190 
      1  -0.243343D+00  0.136602D+01  0.319036D+01 -0.372195D+01  0.504878D+00
      2   0.315525D+01  0.610878D+01  0.223034D+01 -0.247647D+02  0.241575D+01
      3   0.209468D+01  0.919440D+00  0.392035D+01 -0.339138D+01  0.489285D+01
               191           192           193           194           195 
      1  -0.378967D+00  0.105948D+01 -0.338350D+00  0.135666D+01 -0.368684D+01
      2  -0.140503D+01  0.335387D+01 -0.153694D+01  0.524530D+01 -0.531451D+01
      3  -0.744716D+01  0.790936D+00 -0.100479D+02  0.260952D+02 -0.460439D+01
               196           197           198           199           200 
      1   0.753594D+00  0.147794D+00  0.701185D+00  0.122870D+01  0.861839D+00
      2   0.313700D+01 -0.313321D+01  0.137212D+01  0.774854D+01  0.312104D+01
      3   0.906944D+00 -0.520533D+01  0.254184D+01 -0.100224D+02 -0.877804D+01
               201           202           203           204           205 
      1   0.152519D+00  0.751349D+00  0.111067D+01 -0.750434D+00  0.110322D+01
      2   0.829771D+01  0.435609D+01  0.541178D+01  0.703925D+01  0.734749D+01
      3  -0.403674D+01 -0.100077D+02 -0.900082D+01 -0.585243D+01 -0.503456D+01
               206           207           208           209           210 
      1   0.169886D+01  0.111691D+00  0.221641D+01 -0.994527D+00  0.797438D-01
      2   0.438180D+01  0.760725D+01 -0.636335D+00  0.589331D+00  0.172230D+01
      3  -0.724235D+01 -0.540279D+01 -0.188069D+01  0.516649D+00 -0.147130D+01
               211           212           213           214           215 
      1   0.602815D+00  0.105707D+02 -0.681746D+01 -0.127479D+01 -0.771899D+01
      2  -0.103608D+01 -0.283462D+01  0.170693D+01  0.720990D+00  0.313486D+01
      3   0.576561D+01 -0.108378D+02  0.158633D+01 -0.438428D+01  0.549451D+01
               216           217           218           219           220 
      1   0.513170D+01 -0.233334D+01 -0.172715D+01 -0.269237D+01 -0.392946D+00
      2  -0.203369D+01 -0.391653D+00  0.797802D+00  0.166553D+01 -0.560195D+00
      3  -0.214178D+01  0.275176D+01 -0.264473D+01  0.301545D+00  0.198961D+01
               221           222           223           224           225 
      1   0.577415D+00 -0.317312D+01 -0.162979D+01 -0.289167D+01 -0.794351D+01
      2   0.150413D+01  0.173932D+01 -0.341883D+01  0.323107D+01  0.517231D+01
      3  -0.391119D+01 -0.982953D+00  0.365911D+01 -0.181415D+01 -0.192369D+01
               226           227           228           229           230 
      1  -0.146626D+01  0.142146D+01  0.333975D+01  0.842361D+00 -0.131754D+01
      2  -0.780235D+00  0.249133D+01  0.464477D+01  0.194424D+00 -0.290879D+01
      3  -0.330319D+01 -0.112752D+01 -0.645288D-01  0.241582D+01  0.519526D+01
               231           232           233           234 
      1  -0.266340D+01  0.326044D+01  0.237470D+01 -0.209962D+01
      2  -0.326017D+01  0.197845D+01  0.160967D+01 -0.173143D+01
      3   0.126952D+01  0.110768D+01  0.206934D+01 -0.188417D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.127732D+02 -0.590972D+01 -0.995500D+01 -0.545268D+01 -0.265428D+01
      2   0.856845D+01  0.247385D+01  0.838673D+00  0.750315D+00  0.768680D+01
      3   0.420475D+01  0.343586D+01  0.911632D+01  0.470236D+01 -0.503252D+01
      4   0.133729D+01 -0.102642D+01 -0.262922D+01 -0.256408D+01 -0.294349D+01
      5  -0.262951D+00 -0.500248D+01 -0.996687D+01  0.593608D+00  0.480225D+00
      6  -0.232169D+01  0.741987D+00  0.528766D+01  0.323793D+01  0.380043D+01
                 6             7             8             9            10 
      1   0.585215D+01 -0.206149D+02 -0.924468D+00 -0.283061D+01 -0.664836D+01
      2  -0.199296D+01  0.653010D+01  0.288681D+01  0.604696D+01  0.585255D+01
      3  -0.385919D+01  0.140848D+02 -0.196234D+01 -0.321636D+01  0.795812D+00
      4   0.313244D+00 -0.571392D+01  0.640278D+01  0.845084D+01 -0.116009D+01
      5   0.575325D+01 -0.802224D+01  0.707837D+01  0.860166D+01  0.445151D+01
      6  -0.446728D+01  0.861560D+01 -0.373188D+01 -0.690764D+01  0.520138D+01
                11            12            13            14            15 
      1   0.723670D+01 -0.386290D+01  0.752864D+01 -0.108487D+02  0.637131D+00
      2  -0.195357D+00  0.301355D+01 -0.179636D+01  0.122986D+02  0.197555D+01
      3  -0.704134D+01  0.849356D+00 -0.573227D+01 -0.144991D+01 -0.261268D+01
      4  -0.653323D+01  0.101191D+02 -0.107790D+02  0.778820D+01  0.657819D+01
      5   0.840165D+01 -0.924966D+01  0.285414D+01  0.327639D+01 -0.331739D+01
      6   0.190090D+01 -0.642109D+01  0.649363D+01  0.169739D+01 -0.735232D+00
                16            17            18            19            20 
      1  -0.706472D+01  0.120461D+02 -0.673489D+01 -0.147866D-01  0.896453D+01
      2   0.457905D+01 -0.659842D+01  0.720680D+01  0.253597D+01 -0.227078D+01
      3   0.248567D+01 -0.544771D+01 -0.471911D+00 -0.252118D+01 -0.669375D+01
      4   0.171975D+02  0.537925D+01 -0.290177D+01  0.353590D+01  0.106577D+01
      5  -0.875735D+01 -0.398753D+01  0.452450D+01 -0.305544D+01 -0.314645D+01
      6  -0.691887D+01 -0.909239D+00  0.430406D+01 -0.757584D+00 -0.551022D+01
                21            22            23            24            25 
      1   0.639219D+01  0.140577D+02  0.202918D+02 -0.494645D+01  0.806891D+01
      2  -0.141818D+01 -0.761379D+01 -0.259081D+02  0.116764D+02 -0.351439D+00
      3  -0.497401D+01 -0.644392D+01  0.561633D+01 -0.672997D+01 -0.771747D+01
      4  -0.551226D+01 -0.115251D+01 -0.182010D+02 -0.566327D+01 -0.669012D+01
      5  -0.790572D+01 -0.524230D+01 -0.496823D+01 -0.969768D+01 -0.995385D+01
      6  -0.759549D+01 -0.450616D+01  0.206022D+01 -0.103737D+02 -0.109379D+02
                26            27            28            29            30 
      1  -0.434755D+01  0.955798D+01  0.176574D+02  0.115157D+02  0.151816D+01
      2   0.214754D+02 -0.185391D+01 -0.135601D+02 -0.669121D+01 -0.250995D+01
      3  -0.171278D+02 -0.770407D+01 -0.409730D+01 -0.482446D+01  0.991797D+00
      4  -0.721401D+01 -0.168091D+02  0.243729D+01  0.204997D+02  0.625776D+01
      5  -0.152771D+02 -0.149818D+02  0.437438D+01  0.476579D+01  0.690820D+01
      6  -0.218171D+02 -0.164766D+02  0.104219D+01 -0.220474D+00 -0.204208D+01
                31            32            33            34            35 
      1   0.118027D+02  0.299134D+02  0.100278D+02  0.785995D+01  0.871952D+01
      2  -0.903249D+01 -0.210711D+02 -0.377838D+01 -0.730335D+01 -0.681423D+01
      3  -0.277025D+01 -0.884225D+01 -0.624939D+01 -0.556599D+00 -0.190529D+01
      4   0.226545D+02  0.539928D+02  0.330421D+00  0.662965D+01  0.439421D+01
      5   0.812669D+01 -0.156261D+01  0.141894D+02  0.167568D+02  0.102136D+02
      6  -0.167815D+01  0.417752D+01  0.138104D+01 -0.171454D+00  0.991172D+01
                36            37            38            39            40 
      1   0.716948D+01 -0.194671D+02  0.321776D+01 -0.303075D+01  0.132900D+02
      2  -0.129735D+02  0.150761D+02 -0.309090D+01  0.227763D-01 -0.918183D+01
      3   0.580403D+01  0.439095D+01 -0.126861D+00  0.300798D+01 -0.410815D+01
      4   0.729607D+01  0.566674D+01 -0.226551D+02 -0.199592D+02 -0.354421D+02
      5   0.980354D+01 -0.584510D+01 -0.210913D+02 -0.168566D+02 -0.198963D+02
      6  -0.152901D+01 -0.811272D+01 -0.482287D+01 -0.445150D+01  0.191081D+01
                41            42            43            44            45 
      1  -0.235724D+02 -0.253435D+02 -0.106010D+02 -0.295476D+02 -0.188490D+02
      2   0.113199D+02  0.169575D+02  0.488704D+01  0.207592D+02  0.795226D+01
      3   0.122525D+02  0.838598D+01  0.571392D+01  0.878832D+01  0.108967D+02
      4  -0.266423D+02  0.161275D+02 -0.219762D+02  0.151866D+02 -0.276682D+02
      5   0.203079D+02 -0.195695D+02 -0.345911D+02 -0.321285D+02 -0.110099D+02
      6   0.114829D+02 -0.141131D+02 -0.113873D+02 -0.204307D+02 -0.821273D+00
                46            47            48            49            50 
      1  -0.192098D+02 -0.115286D+02 -0.144202D+01 -0.245729D+02 -0.409897D+02
      2   0.108839D+02  0.131984D+02  0.278678D+01  0.231931D+02  0.372208D+02
      3   0.832581D+01 -0.166988D+01 -0.134476D+01  0.137983D+01  0.376890D+01
      4   0.785925D+01 -0.179358D+02 -0.127849D+02 -0.240009D+02 -0.362100D+02
      5   0.976229D+01 -0.103800D+02 -0.372963D+01 -0.106683D+02  0.823876D+01
      6  -0.687427D+01  0.857574D+01  0.310249D+01  0.920965D+01 -0.116765D+02
                51            52            53            54            55 
      1  -0.511190D+01 -0.321258D+01 -0.852273D+01 -0.156491D+02  0.403933D+01
      2   0.643033D+00  0.365066D+01 -0.392252D+01  0.243791D+01 -0.302760D+01
      3   0.446887D+01 -0.438080D+00  0.124452D+02  0.132112D+02 -0.101173D+01
      4   0.105989D+02 -0.186416D+02  0.133680D+02 -0.880413D+01  0.887249D+00
      5  -0.114561D+02 -0.146320D+01 -0.894631D+01 -0.179111D+01 -0.333513D+01
      6   0.450630D+01  0.532956D+01  0.159922D+02  0.896897D+00 -0.219144D+01
                56            57            58            59            60 
      1   0.937485D+01  0.852397D+01  0.966244D+01  0.424870D+02 -0.438059D+01
      2  -0.109073D+02 -0.110626D+02 -0.106726D+02 -0.465797D+02  0.995084D+01
      3   0.153249D+01  0.253862D+01  0.101011D+01  0.409268D+01 -0.557025D+01
      4   0.239192D+01  0.158706D+00  0.717926D+01  0.328863D+01 -0.111512D+02
      5  -0.332338D+00 -0.362209D+01  0.665356D-01 -0.663810D+01  0.388153D+00
      6  -0.116089D+02 -0.330227D+01 -0.698899D+01  0.127782D+02 -0.187718D+02
                61            62            63            64            65 
      1   0.969428D+01 -0.779699D+01  0.248832D+02 -0.112892D+01  0.438325D+01
      2  -0.938015D+01  0.157934D+02 -0.277271D+02 -0.469395D+01 -0.445325D+01
      3  -0.314137D+00 -0.799642D+01  0.284390D+01  0.582287D+01  0.700014D-01
      4  -0.158998D+01 -0.145166D+02 -0.335206D+01  0.379039D+01  0.593846D+01
      5  -0.146167D+01 -0.356822D+01 -0.444984D+01  0.127688D+02 -0.443973D+00
      6  -0.994205D+01 -0.394205D+02 -0.777446D+01 -0.180088D+01  0.456252D+01
                66            67            68            69            70 
      1   0.121436D+02  0.610196D+01  0.141961D+02  0.838198D+00  0.221657D+02
      2  -0.897978D+01 -0.425295D+01 -0.882155D+01 -0.202801D+01 -0.145497D+02
      3  -0.316383D+01 -0.184900D+01 -0.537455D+01  0.118981D+01 -0.761605D+01
      4  -0.301183D+01  0.183688D+02 -0.155350D+02  0.775101D+01 -0.471524D+01
      5   0.144193D+02 -0.106688D+00  0.860134D+01  0.210943D+01  0.193549D+02
      6  -0.472112D+00  0.258285D+00 -0.550035D+01  0.301830D+01 -0.261280D+01
                71            72            73            74            75 
      1  -0.170704D+01  0.148622D+02  0.213499D+01  0.564850D+00  0.322295D+01
      2  -0.101199D+01 -0.116203D+02 -0.481621D+01  0.100708D+01  0.391780D+01
      3   0.271903D+01 -0.324181D+01  0.268122D+01 -0.157193D+01 -0.714075D+01
      4   0.699625D+01 -0.803941D+00 -0.691691D+01  0.716643D+01  0.531286D+01
      5   0.123336D+01 -0.223215D+01 -0.863303D+01  0.548214D+01  0.132531D+02
      6   0.474674D+01  0.109729D+01  0.544460D+01 -0.436542D+01 -0.611719D+01
                76            77            78            79            80 
      1   0.860923D+00 -0.915835D+01 -0.910759D+01  0.329909D+01 -0.815434D+01
      2   0.772190D+00  0.367963D+01  0.371783D+00  0.381548D+01 -0.151133D+01
      3  -0.163311D+01  0.547872D+01  0.873581D+01 -0.711457D+01  0.966567D+01
      4   0.443989D+01 -0.506746D+01 -0.590248D+01  0.505498D+01 -0.636749D+01
      5   0.447378D+01 -0.605417D+01 -0.726216D+01  0.981228D+01 -0.798406D+01
      6  -0.348191D+01  0.985219D+01  0.128886D+02 -0.545104D+01  0.129795D+02
                81            82            83            84            85 
      1  -0.186996D+02  0.933829D+01  0.740704D+00 -0.271924D+00 -0.126397D+01
      2  -0.973527D+01 -0.654732D+01  0.332074D+00  0.250350D+01  0.141498D+01
      3   0.284348D+02 -0.279097D+01 -0.107278D+01 -0.223158D+01 -0.151015D+00
      4  -0.928021D+01  0.146671D+02  0.134811D+02 -0.987020D+01  0.103709D+02
      5  -0.170426D+02 -0.130473D+02 -0.864357D+01  0.134756D+02 -0.668385D+01
      6   0.186074D+02 -0.891926D+01 -0.778730D+01  0.820163D+01 -0.673063D+01
                86            87            88            89            90 
      1  -0.654692D+01  0.352900D+01 -0.750061D+00  0.269469D+01 -0.559136D+01
      2   0.798503D+01 -0.195877D+01  0.311413D+01 -0.335351D+00 -0.393472D+01
      3  -0.143811D+01 -0.157024D+01 -0.236407D+01 -0.235934D+01  0.952608D+01
      4   0.139977D+02 -0.928779D+01 -0.972904D+01 -0.103293D+02  0.112571D+02
      5  -0.859764D+01  0.667717D+01  0.117740D+02  0.948625D+01 -0.136625D+02
      6  -0.123787D+02  0.113401D+02  0.914120D+01  0.126805D+02 -0.141662D+02
                91            92            93            94            95 
      1   0.352672D+02  0.122833D+02  0.160500D+02  0.136605D+02  0.117246D+02
      2  -0.191353D+02 -0.471033D+01 -0.818539D+01 -0.464699D+01 -0.246805D+01
      3  -0.161319D+02 -0.757299D+01 -0.786464D+01 -0.901351D+01 -0.925654D+01
      4   0.166107D+02  0.136315D+02  0.108490D+02  0.219023D+02  0.216004D+02
      5   0.203635D+02  0.107153D+02  0.182058D+02  0.107018D+02  0.924454D+01
      6   0.631958D+01  0.345224D+01  0.453586D+01  0.424950D+01  0.415732D+01
                96            97            98            99           100 
      1   0.711432D+01  0.336164D+02  0.148410D+02  0.158500D+02  0.517251D+02
      2  -0.213672D+01 -0.191083D+02 -0.709858D+01 -0.122940D+02 -0.300365D+02
      3  -0.497759D+01 -0.145081D+02 -0.774243D+01 -0.355600D+01 -0.216886D+02
      4   0.952889D+01  0.218178D+02  0.172292D+02  0.190054D+02 -0.156108D+02
      5   0.135229D+02  0.306554D+02  0.214145D+02  0.356247D+02 -0.166937D+02
      6   0.811068D+01  0.952781D+01  0.112115D+02  0.111071D+02  0.136933D+01
               101           102           103           104           105 
      1  -0.165555D+02 -0.125595D+02 -0.351332D+02  0.136406D+02  0.940377D+01
      2   0.103854D+02  0.910678D+01  0.202509D+02 -0.718349D+01 -0.743145D+01
      3   0.617005D+01  0.345274D+01  0.148823D+02 -0.645713D+01 -0.197232D+01
      4   0.124047D+02  0.545707D+01  0.186809D+02 -0.175495D+02 -0.768481D+01
      5   0.657672D+01  0.140142D+02  0.129837D+02 -0.827227D+01 -0.955774D+01
      6  -0.437540D+00  0.256790D+00 -0.182594D+01  0.183920D+01  0.311486D+01
               106           107           108           109           110 
      1  -0.176969D+02  0.666186D+01  0.110870D+02  0.376171D+01  0.724278D+01
      2   0.126443D+02 -0.583884D+01 -0.964945D+01 -0.188577D+01 -0.413640D+01
      3   0.505259D+01 -0.823016D+00 -0.143752D+01 -0.187594D+01 -0.310638D+01
      4   0.649659D+01 -0.710582D+01 -0.357704D+01  0.537477D+01  0.519111D+01
      5   0.185169D+02 -0.406728D+01 -0.121319D+02 -0.332096D+01 -0.318941D+00
      6  -0.495416D+00  0.398044D+01  0.110696D+01 -0.229165D+01  0.121797D+01
               111           112           113           114           115 
      1  -0.457055D+01  0.123214D+02 -0.262354D+01  0.627453D+01 -0.781137D+01
      2   0.209545D+01 -0.408152D+01  0.125475D+02 -0.572785D+01  0.431525D+01
      3   0.247510D+01 -0.823993D+01 -0.992399D+01 -0.546683D+00  0.349612D+01
      4  -0.711518D+00  0.211726D+02  0.405815D+02 -0.188189D+02 -0.841519D+01
      5   0.493560D+01 -0.699225D+01 -0.211688D+02  0.182107D+02  0.160574D+02
      6   0.595934D+00 -0.621796D+01 -0.184931D+02  0.139543D+02  0.728592D+01
               116           117           118           119           120 
      1   0.735127D+01 -0.175052D+01 -0.272535D+01 -0.634845D+01 -0.481714D+01
      2  -0.649741D+01 -0.172981D+01  0.284393D+01  0.813664D+01  0.481517D+01
      3  -0.853851D+00  0.348033D+01 -0.118579D+00 -0.178819D+01  0.196815D-02
      4  -0.226885D+02  0.198548D+02  0.614676D+01  0.866205D+01  0.537711D+01
      5   0.230950D+02 -0.199067D+02  0.253560D+01  0.348101D+01  0.531350D+01
      6   0.173694D+02 -0.137865D+02  0.741116D+01  0.755903D+01  0.619359D+01
               121           122           123           124           125 
      1  -0.536516D+01 -0.245793D+02 -0.939554D+01 -0.750186D+01 -0.193963D+02
      2   0.699311D+01  0.301837D+02  0.103025D+02  0.625505D+01  0.191135D+02
      3  -0.162795D+01 -0.560448D+01 -0.906958D+00  0.124681D+01  0.282806D+00
      4   0.383722D+01  0.423174D+01  0.372544D+01  0.594363D+01  0.614619D+01
      5   0.179884D+01  0.270972D+01  0.148613D+01  0.518666D+01  0.410491D+01
      6   0.460474D+01  0.153849D+02  0.152357D+02  0.822973D+01  0.282722D+02
               126           127           128           129           130 
      1  -0.203085D+02 -0.132600D+01  0.291139D+01 -0.216014D+01 -0.292193D+01
      2   0.146899D+02  0.468591D+01 -0.592574D+01  0.264632D+01  0.861743D+00
      3   0.561857D+01 -0.335991D+01  0.301435D+01 -0.486179D+00  0.206019D+01
      4   0.482499D+01 -0.389749D+01  0.111757D+02 -0.381409D+01  0.560242D+01
      5   0.333549D+01  0.232366D+01 -0.231030D+01  0.404623D+01 -0.176576D+01
      6   0.247567D+02 -0.455342D+01  0.513492D+01 -0.786935D+00  0.935902D+00
               131           132           133           134           135 
      1  -0.441781D+02  0.143146D+02 -0.242826D-01  0.237319D+02 -0.177294D+02
      2   0.620187D+02 -0.189547D+02  0.119158D+01 -0.289947D+02  0.165747D+02
      3  -0.178405D+02  0.464012D+01 -0.116729D+01  0.526283D+01  0.115467D+01
      4  -0.989396D+01  0.439808D+01 -0.370525D+01  0.570713D+01 -0.315331D+01
      5   0.317232D+01 -0.131267D+01  0.315615D+01 -0.167330D+01  0.231917D+01
      6  -0.286188D+02  0.171966D+02  0.175165D+01  0.287311D+02 -0.169163D+02
               136           137           138           139           140 
      1   0.151963D+02 -0.504326D+01  0.486067D+00 -0.770129D+01  0.717287D+01
      2  -0.129233D+00  0.709734D+01  0.830904D+01  0.113785D+02 -0.276270D+01
      3  -0.150671D+02 -0.205407D+01 -0.879511D+01 -0.367726D+01 -0.441017D+01
      4  -0.871281D+01 -0.405179D+01 -0.202907D+01 -0.989292D+01  0.154375D+02
      5   0.107986D+01 -0.682682D+01 -0.153686D+02 -0.852471D+01 -0.205609D+02
      6  -0.541003D+01 -0.947119D+01 -0.316220D+01 -0.141663D+02  0.203113D+02
               141           142           143           144           145 
      1  -0.448539D+01 -0.380642D+00 -0.218273D+01 -0.103014D+02  0.557771D+01
      2   0.149910D+02  0.790885D+01  0.112980D+02  0.375466D+01 -0.205551D+01
      3  -0.105056D+02 -0.752821D+01 -0.911525D+01  0.654674D+01 -0.352219D+01
      4  -0.166433D+02 -0.737949D+00 -0.107954D+02 -0.378105D+01 -0.169853D+02
      5  -0.900344D+01 -0.207549D+02 -0.625697D+01 -0.108635D+02 -0.206568D+02
      6  -0.195156D+02 -0.220056D+01 -0.158130D+02 -0.845765D+01  0.843409D+00
               146           147           148           149           150 
      1  -0.180820D+02 -0.178518D+02 -0.233865D+02 -0.220814D+02 -0.810426D+01
      2   0.146933D+02  0.703262D+01  0.212723D+02 -0.271924D+00  0.685435D+01
      3   0.338867D+01  0.108192D+02  0.211424D+01  0.223533D+02  0.124991D+01
      4  -0.240967D+02 -0.322296D+01 -0.399049D+02  0.359660D+02 -0.177191D+02
      5  -0.351106D+01 -0.193349D+02 -0.562772D+01 -0.161045D+02 -0.121732D+02
      6  -0.194303D+01  0.759628D+00 -0.254742D+01  0.244591D+01 -0.101811D+01
               151           152           153           154           155 
      1  -0.238711D+02 -0.755508D+01 -0.203298D+02 -0.868873D+01  0.170319D+00
      2   0.694120D+01  0.649216D+01  0.175944D+02  0.168678D+01 -0.574751D+00
      3   0.169299D+02  0.106293D+01  0.273537D+01  0.700195D+01  0.404432D+00
      4  -0.458455D+01 -0.193691D+02 -0.100305D+02  0.563619D+01  0.401984D+00
      5  -0.265221D+02 -0.106932D+02  0.319605D+02 -0.151933D+02  0.189982D+01
      6   0.757322D+00  0.125466D+01 -0.379370D+01  0.182753D+01 -0.301948D+01
               156           157           158           159           160 
      1   0.851097D+01  0.179867D+01 -0.240090D+01 -0.110789D+01  0.472421D+01
      2   0.272809D+01 -0.191755D+01  0.121015D+01 -0.241970D+01  0.230735D+01
      3  -0.112391D+02  0.118886D+00  0.119075D+01  0.352759D+01 -0.703157D+01
      4  -0.976416D+00  0.169777D+01 -0.786240D+00  0.158393D+01 -0.103013D+01
      5   0.347600D+01  0.269482D+01  0.833610D+00  0.159900D+01  0.692930D+01
      6   0.202462D+01 -0.118605D+01 -0.102647D+01  0.383499D+01  0.377490D+00
               161           162           163           164           165 
      1  -0.937678D+00 -0.377368D+01  0.746140D+01  0.306408D+01  0.147114D+01
      2  -0.103240D+01 -0.246158D+01 -0.118499D+02 -0.458923D+01 -0.124053D+02
      3   0.197008D+01  0.623526D+01  0.438851D+01  0.152515D+01  0.109342D+02
      4  -0.369987D+00  0.133162D+01  0.614522D+01  0.649609D+01  0.429230D+01
      5   0.353760D+00 -0.386872D+01  0.187503D+02  0.770366D+01  0.214178D+02
      6   0.307572D+01  0.114046D+01  0.600510D+01  0.681942D+01  0.502127D+01
               166           167           168           169           170 
      1   0.416988D+01 -0.235733D+01 -0.412490D+01  0.549762D+00 -0.243514D+01
      2  -0.681941D+01 -0.237753D+01 -0.101164D+02 -0.100547D+02 -0.607866D+01
      3   0.264953D+01  0.473486D+01  0.142413D+02  0.950497D+01  0.851380D+01
      4   0.758922D+01  0.681077D+01  0.899042D+01  0.292157D+01  0.553949D+01
      5   0.120997D+02  0.117416D+02  0.158517D+02  0.171426D+02  0.840419D+01
      6   0.814931D+01  0.866658D+01  0.135929D+02  0.455707D+01  0.947619D+01
               171           172           173           174           175 
      1  -0.800946D+01 -0.114040D+00 -0.126835D+01  0.543241D-01 -0.548282D+00
      2  -0.180927D+02 -0.399911D-01 -0.921465D+00 -0.235507D+01 -0.220859D+01
      3   0.261022D+02  0.154031D+00  0.218981D+01  0.230075D+01  0.275687D+01
      4   0.638824D+01 -0.552232D+01  0.907073D+01 -0.405269D+01  0.111592D+02
      5   0.250481D+02  0.552171D+01 -0.540121D+01  0.821976D+01 -0.700267D+01
      6   0.105253D+02 -0.494314D+01  0.615410D+01 -0.305301D+01  0.871822D+01
               176           177           178           179           180 
      1  -0.160870D+02  0.121589D+02 -0.649504D+00  0.717678D+01 -0.733883D+01
      2   0.178596D+02 -0.433495D+01 -0.188343D+01 -0.125307D+01 -0.103787D+01
      3  -0.177259D+01 -0.782398D+01  0.253293D+01 -0.592371D+01  0.837670D+01
      4  -0.222439D+02  0.116497D+02 -0.207310D+01  0.580239D+01 -0.533818D+01
      5   0.133145D+02 -0.979222D+01  0.642205D+01 -0.521439D+01  0.796857D+01
      6  -0.315249D+02  0.223340D+02 -0.299320D+01  0.144935D+02 -0.114821D+02
               181           182           183           184           185 
      1   0.105395D+02  0.296420D+01 -0.997707D+01  0.624800D+01  0.308045D+01
      2  -0.839290D+01 -0.200702D+01  0.731953D+01 -0.447068D+01 -0.910235D+00
      3  -0.214663D+01 -0.957186D+00  0.265755D+01 -0.177732D+01 -0.217022D+01
      4   0.215297D+01  0.452497D+01  0.293858D+00  0.778900D+01 -0.121800D+01
      5  -0.122682D+02 -0.559679D+00  0.160960D+02 -0.199547D+01 -0.391033D+01
      6   0.689478D+00 -0.424665D+00 -0.111144D+01 -0.114709D+01 -0.638228D+00
               186           187           188           189           190 
      1  -0.384816D+00 -0.187407D+02  0.742948D+00  0.941555D+01  0.163182D+02
      2   0.132353D+01  0.144519D+02  0.791251D+00 -0.190081D+02 -0.373535D+01
      3  -0.938719D+00  0.428881D+01 -0.153420D+01  0.959258D+01 -0.125828D+02
      4  -0.411152D+01  0.178974D+01 -0.626233D+01  0.283787D+01 -0.157194D+02
      5   0.596019D+01  0.265649D+02  0.350803D+01 -0.486478D+02  0.432774D+01
      6   0.392309D+01 -0.200611D+01  0.378040D+01  0.441797D+01 -0.102789D+01
               191           192           193           194           195 
      1  -0.104686D+02  0.400248D+01 -0.199420D+02  0.848895D+01  0.473262D+00
      2   0.117942D+01 -0.142999D+01  0.590234D-01  0.168237D+02 -0.259674D+01
      3   0.928915D+01 -0.257250D+01  0.198830D+02 -0.253126D+02  0.212348D+01
      4   0.200217D+02 -0.271776D+01  0.371186D+02 -0.557260D+02  0.926139D+01
      5  -0.205606D+01  0.554901D+01 -0.225507D+01  0.784222D+01 -0.884179D+01
      6   0.659294D+00 -0.751332D+00  0.138243D+01 -0.228664D+01  0.621555D+01
               196           197           198           199           200 
      1   0.866703D+01 -0.910007D+00  0.389165D+01  0.507335D+02  0.164398D+02
      2  -0.267586D+01 -0.189425D+01 -0.130837D+01 -0.262954D+02 -0.886284D+01
      3  -0.599117D+01  0.280426D+01 -0.258328D+01 -0.244381D+02 -0.757695D+01
      4  -0.600822D+01  0.110114D+02 -0.704127D+01  0.167289D+02  0.151780D+02
      5   0.100083D+02 -0.693040D+01  0.259983D+01  0.180694D+02  0.660695D+01
      6  -0.313408D+01  0.581754D+01 -0.261625D+01  0.105092D+01  0.579389D+00
               201           202           203           204           205 
      1   0.162537D+02  0.321112D+02  0.152336D+02  0.812900D+01  0.286284D+02
      2  -0.913356D+01 -0.165408D+02 -0.418258D+01 -0.506257D+01 -0.160169D+02
      3  -0.712017D+01 -0.155705D+02 -0.110510D+02 -0.306643D+01 -0.126116D+02
      4   0.647426D+01  0.235896D+02  0.157647D+02  0.110479D+02  0.859278D+01
      5   0.147988D+02  0.105198D+02  0.100670D+02  0.125238D+02  0.214528D+02
      6  -0.105339D+00  0.198674D+01  0.182946D+01  0.262052D+01  0.119999D+01
               206           207           208           209           210 
      1   0.695172D+01  0.143039D+02 -0.162282D+01  0.187768D+01 -0.188153D+01
      2  -0.468115D+01 -0.114766D+02  0.371495D+01 -0.200760D+01  0.853825D+00
      3  -0.227058D+01 -0.282728D+01 -0.209213D+01  0.129919D+00  0.102770D+01
      4   0.121714D+02  0.873742D+01  0.100418D+01  0.751601D+01 -0.681530D+00
      5   0.895252D+01  0.156897D+02 -0.140660D+01  0.275403D+00  0.309274D+01
      6   0.222814D+01  0.210051D+01 -0.204186D+01  0.689887D+00  0.859865D+00
               211           212           213           214           215 
      1  -0.676591D+00 -0.251415D+02  0.449374D+01 -0.211366D+01  0.113593D+02
      2   0.254812D+01  0.417038D+02 -0.886369D+01 -0.898861D+00 -0.199567D+02
      3  -0.187152D+01 -0.165624D+02  0.436995D+01  0.301252D+01  0.859745D+01
      4   0.662488D+01  0.141590D+02 -0.209017D+01 -0.262230D+01 -0.641683D+01
      5   0.979283D-01 -0.177584D+01  0.256527D+01  0.309176D+01  0.420780D+01
      6  -0.294651D+00 -0.785535D+01  0.774408D+01  0.237752D+01  0.128396D+02
               216           217           218           219           220 
      1  -0.635764D+01  0.281578D+01 -0.268308D+01 -0.153860D+01 -0.306156D+01
      2   0.638716D+01 -0.443815D+01 -0.820703D-01 -0.269471D+01  0.207362D+01
      3  -0.295259D-01  0.162237D+01  0.276515D+01  0.423330D+01  0.987939D+00
      4   0.508975D+01  0.759082D+01  0.102019D+02  0.915038D+01  0.633399D+01
      5  -0.901988D+00  0.110347D+02  0.807885D+01  0.124738D+02  0.400798D+01
      6  -0.447832D+01  0.754008D+01  0.862980D+01  0.819286D+01  0.582543D+01
               221           222           223           224           225 
      1  -0.110366D+02 -0.680996D+01 -0.224993D+01 -0.107342D+02 -0.177470D+02
      2   0.894633D+01  0.252299D+01 -0.245036D+01 -0.720119D+00 -0.570710D+01
      3   0.209030D+01  0.428697D+01  0.470028D+01  0.114543D+02  0.234541D+02
      4   0.106414D+02  0.790753D+01  0.949975D+01  0.109132D+02  0.144878D+02
      5   0.799053D+01  0.716577D+01  0.124180D+02  0.132239D+02  0.215095D+02
      6   0.122212D+02  0.143743D+02  0.972365D+01  0.211218D+02  0.258327D+02
               226           227           228           229           230 
      1   0.185607D+02 -0.965277D+01 -0.378396D+01 -0.629383D+01 -0.345389D+01
      2  -0.391341D+01  0.216851D+00  0.172131D+01 -0.292079D+01  0.140139D+02
      3  -0.146472D+02  0.943592D+01  0.206265D+01  0.921462D+01 -0.105600D+02
      4  -0.289879D+02  0.235000D+02  0.106170D+02  0.206813D+02 -0.281847D+02
      5  -0.109499D+02  0.842241D+01  0.959267D+01  0.574173D+01 -0.820738D+01
      6   0.650109D+01 -0.706610D+01 -0.566019D+01 -0.549623D+01  0.968002D+01
               231           232           233           234 
      1  -0.153407D+01 -0.445395D+01  0.128431D+01  0.214383D+01
      2   0.301423D+01  0.161768D+01  0.403963D+01 -0.870365D+00
      3  -0.148016D+01  0.283627D+01 -0.532394D+01 -0.127347D+01
      4  -0.100249D+02  0.122887D+02 -0.148122D+02 -0.702122D+01
      5  -0.601891D+01  0.928203D+01 -0.449039D+01 -0.679974D+01
      6   0.686300D+01 -0.656507D+01  0.438050D+01  0.569827D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 23:15:02 2021, MaxMem= 17179869184 cpu:           30465.7 elap:            2545.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.43736 -10.43642 -10.43176 -10.43130 -10.42969
 Alpha  occ. eigenvalues --  -10.42934 -10.42565 -10.42388 -10.42082 -10.41780
 Alpha  occ. eigenvalues --   -1.02049  -0.94862  -0.88793  -0.86548  -0.82771
 Alpha  occ. eigenvalues --   -0.81325  -0.76780  -0.70081  -0.65035  -0.61451
 Alpha  occ. eigenvalues --   -0.58843  -0.57581  -0.56078  -0.55151  -0.53297
 Alpha  occ. eigenvalues --   -0.51873  -0.51179  -0.49570  -0.49109  -0.48465
 Alpha  occ. eigenvalues --   -0.47732  -0.47146  -0.45554  -0.42832  -0.40944
 Alpha  occ. eigenvalues --   -0.36528  -0.35114  -0.32782
 Alpha virt. eigenvalues --   -0.01193  -0.00384  -0.00266  -0.00122   0.01153
 Alpha virt. eigenvalues --    0.01284   0.01545   0.01813   0.02076   0.03543
 Alpha virt. eigenvalues --    0.03648   0.03904   0.04324   0.05078   0.05565
 Alpha virt. eigenvalues --    0.06305   0.06967   0.07614   0.09055   0.09294
 Alpha virt. eigenvalues --    0.10097   0.10300   0.10645   0.10967   0.11181
 Alpha virt. eigenvalues --    0.11538   0.11642   0.12030   0.12263   0.13129
 Alpha virt. eigenvalues --    0.13265   0.13751   0.14062   0.14418   0.14538
 Alpha virt. eigenvalues --    0.14942   0.15542   0.16044   0.16455   0.16694
 Alpha virt. eigenvalues --    0.17021   0.17069   0.18085   0.18355   0.18610
 Alpha virt. eigenvalues --    0.19688   0.19824   0.20456   0.21902   0.22527
 Alpha virt. eigenvalues --    0.23090   0.23866   0.24069   0.24363   0.25427
 Alpha virt. eigenvalues --    0.25620   0.26505   0.26776   0.27170   0.27533
 Alpha virt. eigenvalues --    0.28832   0.29166   0.29260   0.30063   0.30575
 Alpha virt. eigenvalues --    0.31644   0.32097   0.33139   0.33443   0.34118
 Alpha virt. eigenvalues --    0.34977   0.35560   0.36605   0.36820   0.37742
 Alpha virt. eigenvalues --    0.38118   0.38488   0.38737   0.39436   0.40063
 Alpha virt. eigenvalues --    0.41007   0.41517   0.41919   0.42060   0.42317
 Alpha virt. eigenvalues --    0.42800   0.43250   0.43490   0.44001   0.44273
 Alpha virt. eigenvalues --    0.44806   0.45229   0.45676   0.46210   0.47333
 Alpha virt. eigenvalues --    0.47930   0.48511   0.48941   0.49296   0.50117
 Alpha virt. eigenvalues --    0.50793   0.51178   0.51603   0.51975   0.52124
 Alpha virt. eigenvalues --    0.53423   0.53833   0.53967   0.54417   0.55090
 Alpha virt. eigenvalues --    0.55294   0.56113   0.56831   0.57339   0.57784
 Alpha virt. eigenvalues --    0.58174   0.58792   0.59750   0.60067   0.60261
 Alpha virt. eigenvalues --    0.60868   0.61631   0.62093   0.62903   0.63196
 Alpha virt. eigenvalues --    0.63946   0.64266   0.64579   0.65900   0.66437
 Alpha virt. eigenvalues --    0.66795   0.67287   0.67708   0.68699   0.69410
 Alpha virt. eigenvalues --    0.69741   0.70548   0.70656   0.71237   0.71722
 Alpha virt. eigenvalues --    0.72209   0.72536   0.73694   0.73714   0.74078
 Alpha virt. eigenvalues --    0.75360   0.75446   0.75653   0.76566   0.77141
 Alpha virt. eigenvalues --    0.77983   0.78541   0.79135   0.79696   0.80091
 Alpha virt. eigenvalues --    0.80444   0.81335   0.81778   0.82815   0.83356
 Alpha virt. eigenvalues --    0.83533   0.84078   0.84618   0.85656   0.86601
 Alpha virt. eigenvalues --    0.87252   0.88362   0.89400   0.90602   0.91245
 Alpha virt. eigenvalues --    0.92424   0.93135   0.94559   0.95898   0.97201
 Alpha virt. eigenvalues --    0.97613   0.99418   1.00269   1.01212   1.02310
 Alpha virt. eigenvalues --    1.03381   1.04368   1.05877   1.06728   1.07049
 Alpha virt. eigenvalues --    1.09098   1.09661   1.10244   1.12675   1.14753
 Alpha virt. eigenvalues --    1.15191   1.16729   1.18764   1.19416   1.20972
 Alpha virt. eigenvalues --    1.21641   1.22306   1.24833   1.25560   1.27075
 Alpha virt. eigenvalues --    1.28499   1.29955   1.32667   1.32913   1.35062
 Alpha virt. eigenvalues --    1.36732   1.37580   1.40704   1.41304   1.42707
 Alpha virt. eigenvalues --    1.44826   1.47264   1.48553   1.49884   1.50855
 Alpha virt. eigenvalues --    1.52224   1.53654   1.55535   1.56309   1.56905
 Alpha virt. eigenvalues --    1.58152   1.59186   1.60691   1.61071   1.62562
 Alpha virt. eigenvalues --    1.64073   1.64774   1.66704   1.67709   1.69007
 Alpha virt. eigenvalues --    1.70476   1.71302   1.72769   1.72989   1.73833
 Alpha virt. eigenvalues --    1.75553   1.76626   1.77909   1.79561   1.79835
 Alpha virt. eigenvalues --    1.82001   1.82515   1.82888   1.83642   1.84892
 Alpha virt. eigenvalues --    1.87617   1.88336   1.89612   1.91479   1.92852
 Alpha virt. eigenvalues --    1.93522   1.95220   1.95607   1.96099   1.96776
 Alpha virt. eigenvalues --    1.98577   1.99396   2.01842   2.02717   2.03388
 Alpha virt. eigenvalues --    2.03696   2.05224   2.05802   2.06197   2.08683
 Alpha virt. eigenvalues --    2.08738   2.10397   2.11759   2.13837   2.14293
 Alpha virt. eigenvalues --    2.15977   2.17319   2.18312   2.19601   2.20417
 Alpha virt. eigenvalues --    2.21368   2.22954   2.24262   2.25171   2.26320
 Alpha virt. eigenvalues --    2.26836   2.28438   2.29275   2.30968   2.31494
 Alpha virt. eigenvalues --    2.32548   2.34980   2.35352   2.37952   2.39170
 Alpha virt. eigenvalues --    2.40266   2.41266   2.42611   2.43014   2.45118
 Alpha virt. eigenvalues --    2.45734   2.47254   2.47768   2.50665   2.51617
 Alpha virt. eigenvalues --    2.53169   2.56599   2.57921   2.59480   2.61424
 Alpha virt. eigenvalues --    2.62516   2.64284   2.64675   2.65373   2.68048
 Alpha virt. eigenvalues --    2.68346   2.69924   2.72224   2.74860   2.75982
 Alpha virt. eigenvalues --    2.79144   2.79828   2.81302   2.84742   2.85256
 Alpha virt. eigenvalues --    2.86948   2.88548   2.90172   2.91665   2.97653
 Alpha virt. eigenvalues --    2.99742   3.04392   3.07368   3.09813   3.18050
 Alpha virt. eigenvalues --    3.21845   3.38307   3.51361   3.64299   4.15739
 Alpha virt. eigenvalues --    4.78188
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   18.053194  -4.693399  -5.935689   0.742778  -0.435123  -0.896111
     2  C   -4.693399  15.522374   1.898618  -1.564122   0.030839   1.134729
     3  C   -5.935689   1.898618  18.639248  -0.959343  -0.738231  -4.597883
     4  C    0.742778  -1.564122  -0.959343  16.907150  -0.473772  -8.651417
     5  C   -0.435123   0.030839  -0.738231  -0.473772   8.241164  -1.843605
     6  C   -0.896111   1.134729  -4.597883  -8.651417  -1.843605  22.959882
     7  C    1.342994  -3.416645  -1.236185  -1.347440  -0.039716  -0.486199
     8  C   -0.550518  -1.063729  -0.868706   0.141103   0.147049  -0.505841
     9  H   -2.804463   1.206276   0.916611  -0.029111   0.047287  -0.037678
    10  H    1.182576  -2.442534  -0.024166   0.114666  -0.002212  -0.075218
    11  H    0.051846  -0.004877  -0.134254  -0.093574   0.492682  -0.056568
    12  H   -0.147999   0.053967   0.224836   0.494308  -0.470085   0.002344
    13  H    0.117255  -0.022279  -0.372603   0.100299   0.483987  -0.074366
    14  H    0.246520  -0.203673  -0.094764  -0.171081  -0.035920   0.334950
    15  H   -0.351318   0.700774   0.059327   0.119787   0.031687   0.307177
    16  C   -0.847024  -1.023100  -0.137219  -0.319986  -0.077024   0.345243
    17  C   -0.210556  -0.274738  -0.518419   0.197129   0.028706  -0.142573
    18  H   -0.027860  -0.329832  -0.591857   0.003620  -0.037058   0.171556
    19  H    0.031172  -0.073103   0.124729   0.023915   0.007478   0.014435
    20  H   -0.145368   0.093371   0.111916   0.041123   0.001848   0.017109
    21  H   -0.119673  -0.124494   0.014379   0.001621   0.000934  -0.003143
    22  H   -0.251915   0.218926   0.123741  -0.043228   0.003222   0.019457
    23  H    0.218119  -0.249696  -0.075165   0.040966   0.000725  -0.048945
    24  H   -0.399197   0.237521   0.618671   0.095517  -0.168347  -0.028357
    25  H    0.947407  -0.326072  -1.635601   0.411616  -0.066413   0.386479
    26  H   -0.035424  -0.157146   0.366470   1.372949   0.265121  -2.724185
               7          8          9         10         11         12
     1  C    1.342994  -0.550518  -2.804463   1.182576   0.051846  -0.147999
     2  C   -3.416645  -1.063729   1.206276  -2.442534  -0.004877   0.053967
     3  C   -1.236185  -0.868706   0.916611  -0.024166  -0.134254   0.224836
     4  C   -1.347440   0.141103  -0.029111   0.114666  -0.093574   0.494308
     5  C   -0.039716   0.147049   0.047287  -0.002212   0.492682  -0.470085
     6  C   -0.486199  -0.505841  -0.037678  -0.075218  -0.056568   0.002344
     7  C   12.062851  -0.645552  -0.033261   0.480916   0.000223  -0.053129
     8  C   -0.645552  10.831900  -0.014361   0.027249  -0.001606  -0.014811
     9  H   -0.033261  -0.014361   3.184139  -0.187137   0.005011  -0.000117
    10  H    0.480916   0.027249  -0.187137   3.136197   0.000629   0.000089
    11  H    0.000223  -0.001606   0.005011   0.000629   1.105350  -0.208251
    12  H   -0.053129  -0.014811  -0.000117   0.000089  -0.208251   1.698542
    13  H    0.022194   0.000413   0.006515   0.000521  -0.139224  -0.244098
    14  H    0.239430  -0.267539   0.008954  -0.001063  -0.001415  -0.006815
    15  H   -0.970900   0.126320  -0.004650  -0.252021   0.003745   0.004119
    16  C   -0.101525  -0.510125  -0.050999  -0.025873  -0.003516   0.006612
    17  C   -0.208234  -0.780425  -0.173706  -0.193570  -0.000132   0.000858
    18  H   -0.267445   0.351936  -0.001556  -0.003317  -0.002244   0.005677
    19  H    0.077805   0.198026  -0.005963   0.014526  -0.000382   0.001137
    20  H    0.062101   0.222039   0.008347  -0.004545   0.000759  -0.001813
    21  H    0.041088   0.667332  -0.045594  -0.046107  -0.000109  -0.000122
    22  H   -0.050399  -0.070054  -0.010553   0.024267  -0.000276   0.000494
    23  H    0.090101  -0.027770   0.023382  -0.014655   0.000145  -0.000323
    24  H   -0.051475  -0.275500   0.019959   0.009091   0.000456   0.022905
    25  H   -0.009384   0.151755  -0.267703  -0.009255  -0.000243  -0.004135
    26  H    0.039087   0.053728  -0.001165   0.018612   0.014525  -0.081031
              13         14         15         16         17         18
     1  C    0.117255   0.246520  -0.351318  -0.847024  -0.210556  -0.027860
     2  C   -0.022279  -0.203673   0.700774  -1.023100  -0.274738  -0.329832
     3  C   -0.372603  -0.094764   0.059327  -0.137219  -0.518419  -0.591857
     4  C    0.100299  -0.171081   0.119787  -0.319986   0.197129   0.003620
     5  C    0.483987  -0.035920   0.031687  -0.077024   0.028706  -0.037058
     6  C   -0.074366   0.334950   0.307177   0.345243  -0.142573   0.171556
     7  C    0.022194   0.239430  -0.970900  -0.101525  -0.208234  -0.267445
     8  C    0.000413  -0.267539   0.126320  -0.510125  -0.780425   0.351936
     9  H    0.006515   0.008954  -0.004650  -0.050999  -0.173706  -0.001556
    10  H    0.000521  -0.001063  -0.252021  -0.025873  -0.193570  -0.003317
    11  H   -0.139224  -0.001415   0.003745  -0.003516  -0.000132  -0.002244
    12  H   -0.244098  -0.006815   0.004119   0.006612   0.000858   0.005677
    13  H    1.162188   0.002797  -0.002431  -0.001839   0.000819  -0.006119
    14  H    0.002797   1.629358  -0.442402   0.062097  -0.090718  -0.038628
    15  H   -0.002431  -0.442402   1.819651  -0.014210   0.054295   0.011754
    16  C   -0.001839   0.062097  -0.014210   7.261378  -0.221979   0.462188
    17  C    0.000819  -0.090718   0.054295  -0.221979   7.000274   0.209495
    18  H   -0.006119  -0.038628   0.011754   0.462188   0.209495   2.733474
    19  H    0.001709  -0.013291   0.014436  -0.128054  -0.102753  -0.615655
    20  H    0.005314   0.021087  -0.004499  -0.103412  -0.142245  -0.593433
    21  H    0.000403   0.002090   0.001450  -0.178860  -0.202808  -0.045863
    22  H   -0.000646  -0.010002   0.000410   0.064234   0.187467   0.018738
    23  H    0.000396   0.014289   0.004951   0.095841   0.152453   0.030574
    24  H   -0.049942  -0.000569   0.000538   0.054448  -0.101387  -0.052610
    25  H    0.023814  -0.004700   0.007918   0.002878   0.064783   0.012819
    26  H    0.021867  -0.106286  -0.075181  -0.025327  -0.001773  -0.015869
              19         20         21         22         23         24
     1  C    0.031172  -0.145368  -0.119673  -0.251915   0.218119  -0.399197
     2  C   -0.073103   0.093371  -0.124494   0.218926  -0.249696   0.237521
     3  C    0.124729   0.111916   0.014379   0.123741  -0.075165   0.618671
     4  C    0.023915   0.041123   0.001621  -0.043228   0.040966   0.095517
     5  C    0.007478   0.001848   0.000934   0.003222   0.000725  -0.168347
     6  C    0.014435   0.017109  -0.003143   0.019457  -0.048945  -0.028357
     7  C    0.077805   0.062101   0.041088  -0.050399   0.090101  -0.051475
     8  C    0.198026   0.222039   0.667332  -0.070054  -0.027770  -0.275500
     9  H   -0.005963   0.008347  -0.045594  -0.010553   0.023382   0.019959
    10  H    0.014526  -0.004545  -0.046107   0.024267  -0.014655   0.009091
    11  H   -0.000382   0.000759  -0.000109  -0.000276   0.000145   0.000456
    12  H    0.001137  -0.001813  -0.000122   0.000494  -0.000323   0.022905
    13  H    0.001709   0.005314   0.000403  -0.000646   0.000396  -0.049942
    14  H   -0.013291   0.021087   0.002090  -0.010002   0.014289  -0.000569
    15  H    0.014436  -0.004499   0.001450   0.000410   0.004951   0.000538
    16  C   -0.128054  -0.103412  -0.178860   0.064234   0.095841   0.054448
    17  C   -0.102753  -0.142245  -0.202808   0.187467   0.152453  -0.101387
    18  H   -0.615655  -0.593433  -0.045863   0.018738   0.030574  -0.052610
    19  H    2.013066  -0.409307   0.012945   0.039918  -0.070929   0.024262
    20  H   -0.409307   2.012897   0.016120  -0.064050   0.035256  -0.017248
    21  H    0.012945   0.016120   2.149404  -0.409407  -0.400868  -0.003056
    22  H    0.039918  -0.064050  -0.409407   1.633101  -0.305738   0.018316
    23  H   -0.070929   0.035256  -0.400868  -0.305738   1.634585  -0.011184
    24  H    0.024262  -0.017248  -0.003056   0.018316  -0.011184   1.850376
    25  H   -0.002497   0.018874   0.003099   0.006049   0.000199  -0.629593
    26  H    0.001270   0.000221   0.000041   0.000000  -0.000058  -0.001414
              25         26
     1  C    0.947407  -0.035424
     2  C   -0.326072  -0.157146
     3  C   -1.635601   0.366470
     4  C    0.411616   1.372949
     5  C   -0.066413   0.265121
     6  C    0.386479  -2.724185
     7  C   -0.009384   0.039087
     8  C    0.151755   0.053728
     9  H   -0.267703  -0.001165
    10  H   -0.009255   0.018612
    11  H   -0.000243   0.014525
    12  H   -0.004135  -0.081031
    13  H    0.023814   0.021867
    14  H   -0.004700  -0.106286
    15  H    0.007918  -0.075181
    16  C    0.002878  -0.025327
    17  C    0.064783  -0.001773
    18  H    0.012819  -0.015869
    19  H   -0.002497   0.001270
    20  H    0.018874   0.000221
    21  H    0.003099   0.000041
    22  H    0.006049   0.000000
    23  H    0.000199  -0.000058
    24  H   -0.629593  -0.001414
    25  H    2.165304   0.003725
    26  H    0.003725   2.802852
 Mulliken charges:
               1
     1  C    0.917774
     2  C    0.872041
     3  C    0.821535
     4  C   -1.155473
     5  C    0.604776
     6  C    0.478728
     7  C    0.458697
     8  C   -1.322314
     9  H   -0.758461
    10  H   -0.727670
    11  H   -0.028702
    12  H   -0.283161
    13  H   -0.036945
    14  H   -0.072706
    15  H   -0.150731
    16  C    1.415154
    17  C    1.469738
    18  H   -0.382484
    19  H   -0.178897
    20  H   -0.182460
    21  H   -0.330803
    22  H   -0.142072
    23  H   -0.136651
    24  H   -0.162185
    25  H   -0.251123
    26  H   -0.735609
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.159313
     2  C    0.144372
     3  C    0.408228
     4  C   -1.155473
     5  C    0.255969
     6  C   -0.256880
     7  C    0.235261
     8  C   -1.322314
    16  C    0.671312
    17  C    0.860213
 Electronic spatial extent (au):  <R**2>=           1563.4699
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0252    Y=             -0.1154    Z=             -0.1013  Tot=              0.1556
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.2031   YY=            -62.2530   ZZ=            -63.9784
   XY=              0.6250   XZ=             -0.7306   YZ=              0.5819
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0583   YY=              0.8918   ZZ=             -0.8336
   XY=              0.6250   XZ=             -0.7306   YZ=              0.5819
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -4.4369  YYY=              2.5318  ZZZ=             -3.4935  XYY=             -1.4331
  XXY=              0.2827  XXZ=              0.8686  XZZ=              2.3085  YZZ=             -0.9882
  YYZ=              0.4389  XYZ=             -1.9762
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1425.3168 YYYY=           -458.7672 ZZZZ=           -330.0516 XXXY=              1.2179
 XXXZ=             -4.5767 YYYX=             -5.4014 YYYZ=             -5.6142 ZZZX=             -1.8038
 ZZZY=              5.1044 XXYY=           -310.6764 XXZZ=           -286.7563 YYZZ=           -126.3363
 XXYZ=              6.6564 YYXZ=             -1.2097 ZZXY=              5.4345
 N-N= 5.515317654388D+02 E-N=-2.006684261694D+03  KE= 3.878427896099D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 23:15:03 2021, MaxMem= 17179869184 cpu:               3.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.99461372D-03-4.19829553D-02-4.97388206D-02
 Polarizability= 1.26502754D+02 3.99572358D+00 1.15584620D+02
                 4.11182155D-01 2.40014589D+00 9.70184714D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3422   -0.3475        2.0247    2.0294
 2      0.3422    0.3475       -1.1928   -1.1928       -5.4104   -5.4175
 3     -2.0247   -2.0294       14.8862   14.9010        1.2066    1.1928
 4      1.1928    1.1928       -0.0000    0.0000       -2.0285   -2.0294
 5     -9.4759   -9.4835        2.0285    2.0294       -0.3491   -0.3475
 6     -1.2066   -1.1928        0.3491    0.3475        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.0426    1.0426        6.0881    6.0881
 2      3.5784    3.5784        0.0000    0.0000        6.0881    6.0881
 3      3.5784    3.5784        1.0426    1.0426       -0.0000    0.0000
 4      1.0426    1.0426       -3.5784   -3.5784      -16.2525  -16.2525
 5     -6.0881   -6.0881       44.7029   44.7029        3.5784    3.5784
 6    -28.4504  -28.4504        6.0881    6.0881       -1.0426   -1.0426
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1389    0.0000        1.1707    1.3901       -8.2224   -8.1174
 2     -1.1098   -1.3901        4.5592    4.7712       21.6971   21.6700
 3      8.5025    8.1174      -59.6506  -59.6038       -4.7828   -4.7712
 4     -5.0566   -4.7712       -0.1000    0.0000        8.2422    8.1174
 5     37.5648   37.9338       -8.2999   -8.1174        0.9805    1.3901
 6      4.9578    4.7712       -1.5399   -1.3901        0.0832    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4709    0.0000       20.7204   20.8184       -7.9622   -8.7302
 2    -21.4812  -20.8184       36.2637   37.6286       17.2568   17.1992
 3      8.3380    8.7302       10.5402   11.4943      -38.5343  -37.6286
 4    -36.8632  -37.6286       -0.1547    0.0000        8.4332    8.7302
 5    -29.2013  -28.6935       -9.2433   -8.7302       20.7009   20.8184
 6     38.1444   37.6286      -20.8612  -20.8184       -0.5333    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.4290  -19.1805       23.1624   23.3900       15.8957   16.6154
 2    -80.6084  -81.5442       49.7962   50.1887       15.5843   16.6154
 3    -80.2280  -81.5442       23.0506   23.3900       19.1275   20.2476
 4    -27.6289  -26.7987       62.7011   62.3637       27.2574   26.8306
 5      3.5187    3.6322       13.9320   14.4394      -62.8554  -62.3637
 6    -41.4590  -41.2700       -3.8658   -3.6322       26.3063   26.7987
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.2833   -4.6047   -0.0007   -0.0003    0.0002    4.3005
 Low frequencies ---   79.9287  158.5335  180.6431
 Diagonal vibrational polarizability:
        1.8139426       1.5843026       3.3831176
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.9237               158.5328               180.6427
 Red. masses --      2.6809                 1.6030                 1.3070
 Frc consts  --      0.0101                 0.0237                 0.0251
 IR Inten    --      0.0447                 0.4728                 0.3513
 RamAct Fr= 1--      0.7838                 1.9576                 0.3249
  Dep-P Fr= 1--      0.7375                 0.7465                 0.7475
  Dep-U Fr= 1--      0.8489                 0.8549                 0.8555
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1109                 0.2789                 0.0463
 AlphaG Fr= 1--      0.0012                 0.0035                 0.0007
 Gamma2 Fr= 1--     -0.0514                 0.0242                 0.1417
 Delta2 Fr= 1--     -0.0218                -0.0386                 0.0155
 Raman1 Fr= 1--       3.135                  7.831                  1.300
 ROA1   Fr= 1--      -5.630                  1.093                 14.096
 CID1   Fr= 1--      -1.796                  0.140                 10.847
 Raman2 Fr= 1--       1.331                  3.347                  0.556
 ROA2   Fr= 1--      -1.059                  0.891                  3.276
 CID2   Fr= 1--      -0.796                  0.266                  5.893
 Raman3 Fr= 1--       2.661                  6.694                  1.112
 ROA3   Fr= 1--      -5.630                  1.093                 14.096
 CID3   Fr= 1--      -2.115                  0.163                 12.679
 RC180  Fr= 1--       0.698                  0.710                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.07    -0.01  -0.02  -0.00     0.00  -0.02  -0.00
     2   6     0.03   0.02  -0.03     0.00  -0.01  -0.03    -0.01  -0.02  -0.01
     3   6    -0.01   0.05  -0.17    -0.03   0.01  -0.08     0.00  -0.02   0.04
     4   6     0.05  -0.00   0.01     0.00  -0.02   0.02     0.01  -0.00   0.03
     5   6     0.12  -0.06   0.20    -0.02  -0.01  -0.04    -0.02   0.04  -0.01
     6   6     0.04   0.00   0.01     0.04  -0.05   0.10     0.02   0.00   0.02
     7   6    -0.00   0.04  -0.11     0.02  -0.03   0.02    -0.00   0.00  -0.06
     8   6    -0.05  -0.00   0.01    -0.01   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.08   0.03  -0.04     0.03  -0.03   0.02    -0.01  -0.04  -0.00
    10   1     0.10   0.02   0.03    -0.01  -0.01  -0.04     0.01  -0.04  -0.01
    11   1     0.02  -0.12   0.28    -0.14   0.36  -0.14    -0.18   0.46  -0.11
    12   1     0.13  -0.08   0.27     0.09  -0.09   0.28     0.13  -0.05   0.37
    13   1     0.26  -0.03   0.22    -0.03  -0.26  -0.34    -0.03  -0.26  -0.35
    14   1     0.00   0.16  -0.17     0.06  -0.01  -0.01     0.01   0.09  -0.11
    15   1    -0.06  -0.05  -0.20    -0.04  -0.04   0.02    -0.04  -0.06  -0.13
    16   6    -0.14  -0.04  -0.01     0.02   0.15   0.03    -0.02  -0.08  -0.02
    17   6    -0.04  -0.03   0.11    -0.02  -0.06   0.00     0.02   0.09   0.03
    18   1    -0.14  -0.01  -0.06    -0.02  -0.05  -0.01     0.02   0.09   0.02
    19   1    -0.15  -0.08   0.04    -0.13   0.39  -0.08     0.12  -0.26   0.05
    20   1    -0.19  -0.05  -0.04     0.25   0.25   0.20    -0.21  -0.16  -0.13
    21   1     0.05  -0.01   0.14    -0.01  -0.10  -0.00     0.00  -0.02   0.00
    22   1    -0.08  -0.04   0.11    -0.06  -0.06   0.04     0.13   0.16   0.16
    23   1    -0.07  -0.05   0.18     0.01  -0.06  -0.02    -0.05   0.24  -0.06
    24   1    -0.05  -0.07  -0.32    -0.07  -0.07  -0.18     0.02   0.01   0.07
    25   1    -0.03   0.25  -0.23    -0.03   0.13  -0.13    -0.01  -0.05   0.06
    26   1     0.07  -0.03   0.13     0.07  -0.06   0.18     0.02   0.01   0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --    188.9809               205.9619               236.2658
 Red. masses --      1.3768                 1.2108                 2.2714
 Frc consts  --      0.0290                 0.0303                 0.0747
 IR Inten    --      0.0864                 0.0053                 0.2991
 RamAct Fr= 1--      0.1052                 1.0471                 0.7087
  Dep-P Fr= 1--      0.7213                 0.7498                 0.0329
  Dep-U Fr= 1--      0.8381                 0.8570                 0.0637
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0146
 Beta2  Fr= 1--      0.0147                 0.1496                 0.0075
 AlphaG Fr= 1--      0.0027                -0.0005                 0.0143
 Gamma2 Fr= 1--     -0.0273                 0.1010                 0.0121
 Delta2 Fr= 1--     -0.0286                 0.0059                -0.0038
 Raman1 Fr= 1--       0.421                  4.188                  2.835
 ROA1   Fr= 1--      -3.536                  9.882                  1.038
 CID1   Fr= 1--      -8.403                  2.359                  0.366
 Raman2 Fr= 1--       0.176                  1.795                  0.090
 ROA2   Fr= 1--      -0.426                  2.376                  0.320
 CID2   Fr= 1--      -2.416                  1.324                  3.543
 Raman3 Fr= 1--       0.353                  3.589                  0.181
 ROA3   Fr= 1--      -3.536                  9.882                  1.038
 CID3   Fr= 1--     -10.026                  2.753                  5.747
 RC180  Fr= 1--       0.676                  0.714                 -0.873
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04   0.01    -0.01  -0.03  -0.00     0.01  -0.02   0.08
     2   6     0.01   0.04   0.01    -0.00  -0.03  -0.01     0.01  -0.02   0.07
     3   6     0.02   0.01   0.01    -0.03   0.00  -0.07    -0.05   0.04  -0.10
     4   6     0.00  -0.01   0.00    -0.01  -0.01  -0.01    -0.04   0.01  -0.01
     5   6     0.02  -0.06  -0.02    -0.01   0.01  -0.01    -0.04   0.01  -0.01
     6   6    -0.02  -0.01  -0.00     0.02  -0.02   0.04    -0.03   0.00  -0.00
     7   6    -0.02   0.02   0.00     0.03  -0.03   0.04    -0.06   0.02  -0.12
     8   6     0.00   0.04   0.01    -0.00  -0.01  -0.00     0.01  -0.01   0.09
     9   1     0.02   0.04   0.02     0.01  -0.03   0.01     0.06  -0.04   0.11
    10   1    -0.01   0.05  -0.00    -0.01  -0.02  -0.02     0.06  -0.03   0.10
    11   1     0.01   0.02  -0.06     0.07  -0.17   0.04    -0.01  -0.04  -0.00
    12   1     0.01  -0.11   0.06    -0.07   0.07  -0.20    -0.05   0.02  -0.07
    13   1     0.05  -0.13  -0.11    -0.05   0.15   0.16    -0.05   0.04   0.03
    14   1    -0.04   0.03   0.01     0.06  -0.08   0.06    -0.11   0.27  -0.23
    15   1    -0.04   0.01   0.00     0.02   0.00   0.09    -0.11  -0.16  -0.33
    16   6     0.01   0.07   0.01     0.01   0.04   0.01     0.18  -0.06   0.13
    17   6    -0.03  -0.12  -0.02     0.01   0.04   0.01    -0.01   0.02  -0.06
    18   1     0.11   0.55   0.11     0.05   0.25   0.05     0.20  -0.05   0.26
    19   1     0.38  -0.26   0.02     0.17  -0.08  -0.01     0.27  -0.10   0.08
    20   1    -0.46  -0.06  -0.09    -0.19  -0.00  -0.01     0.20  -0.08   0.06
    21   1    -0.03  -0.11  -0.02    -0.08  -0.37  -0.07    -0.11   0.13  -0.07
    22   1    -0.17  -0.17  -0.08     0.16   0.18   0.42     0.03  -0.00  -0.20
    23   1     0.07  -0.24  -0.00    -0.04   0.37  -0.31     0.04  -0.03  -0.06
    24   1     0.05   0.02   0.02    -0.08  -0.06  -0.14    -0.18  -0.09  -0.27
    25   1     0.03  -0.01   0.02    -0.03   0.10  -0.11    -0.00   0.26  -0.21
    26   1    -0.03  -0.02  -0.01     0.04  -0.03   0.08    -0.02   0.00   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    251.6382               270.7465               339.1865
 Red. masses --      1.5944                 1.8233                 2.5521
 Frc consts  --      0.0595                 0.0787                 0.1730
 IR Inten    --      0.9087                 1.7147                 0.1342
 RamAct Fr= 1--      0.6157                 0.5275                 1.8327
  Dep-P Fr= 1--      0.7129                 0.7368                 0.4231
  Dep-U Fr= 1--      0.8324                 0.8484                 0.5946
 Alpha2 Fr= 1--      0.0004                 0.0001                 0.0125
 Beta2  Fr= 1--      0.0854                 0.0746                 0.1816
 AlphaG Fr= 1--     -0.0032                -0.0044                -0.0014
 Gamma2 Fr= 1--     -0.0288                -0.3637                -0.1234
 Delta2 Fr= 1--      0.1346                -0.1280                 0.0321
 Raman1 Fr= 1--       2.463                  2.110                  7.331
 ROA1   Fr= 1--       1.543                -39.011                -10.817
 CID1   Fr= 1--       0.627                -18.488                 -1.476
 Raman2 Fr= 1--       1.025                  0.895                  2.179
 ROA2   Fr= 1--      -1.767                 -7.705                 -3.219
 CID2   Fr= 1--      -1.724                 -8.608                 -1.477
 Raman3 Fr= 1--       2.050                  1.790                  4.359
 ROA3   Fr= 1--       1.543                -39.011                -10.817
 CID3   Fr= 1--       0.753                -21.791                 -2.482
 RC180  Fr= 1--       0.665                  0.697                  0.189
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.01    -0.00   0.05  -0.01    -0.02  -0.09   0.05
     2   6    -0.02  -0.03  -0.06     0.00   0.04  -0.00    -0.01  -0.08   0.00
     3   6    -0.01  -0.03  -0.01     0.04   0.02   0.07    -0.03   0.03   0.03
     4   6     0.02  -0.03   0.05     0.04   0.00   0.09     0.05   0.09   0.02
     5   6    -0.04   0.06  -0.04     0.02  -0.04  -0.10     0.13  -0.10  -0.07
     6   6     0.06  -0.05   0.13     0.04  -0.01   0.13     0.04   0.09   0.01
     7   6     0.02  -0.03  -0.02    -0.03   0.06  -0.08     0.09   0.01   0.01
     8   6    -0.01   0.01  -0.02    -0.01   0.02  -0.01    -0.07  -0.06   0.06
     9   1     0.00  -0.06  -0.01    -0.02   0.04  -0.01    -0.00  -0.15   0.09
    10   1    -0.03  -0.04  -0.07     0.02   0.03   0.01     0.05  -0.12   0.02
    11   1     0.09  -0.06  -0.05     0.24  -0.13  -0.17     0.27  -0.13  -0.13
    12   1    -0.07   0.16  -0.28    -0.11  -0.04  -0.31    -0.04  -0.28  -0.05
    13   1    -0.20   0.17   0.11    -0.09   0.02  -0.02     0.27  -0.15  -0.14
    14   1     0.10   0.06  -0.10     0.01   0.32  -0.24     0.15  -0.06   0.03
    15   1    -0.10  -0.09  -0.07    -0.19  -0.13  -0.28     0.17   0.05   0.05
    16   6    -0.03   0.03  -0.02    -0.04  -0.05  -0.02    -0.10   0.02   0.07
    17   6     0.02   0.07   0.03    -0.03  -0.07  -0.01    -0.09   0.09  -0.13
    18   1     0.01   0.21  -0.00    -0.07  -0.22  -0.06    -0.10   0.09   0.01
    19   1     0.10  -0.09  -0.02    -0.17   0.03   0.02    -0.10   0.02   0.06
    20   1    -0.21  -0.01  -0.05     0.12  -0.02  -0.03    -0.18   0.02   0.13
    21   1     0.14   0.47   0.12    -0.09  -0.35  -0.07    -0.29   0.26  -0.15
    22   1    -0.02  -0.02  -0.32    -0.07  -0.02   0.23     0.07   0.08  -0.32
    23   1    -0.05  -0.16   0.36     0.03   0.04  -0.22    -0.07   0.09  -0.16
    24   1    -0.02  -0.06  -0.05     0.11   0.05   0.11    -0.12   0.02   0.02
    25   1    -0.03   0.03  -0.02    -0.00  -0.04   0.12    -0.07   0.08   0.03
    26   1     0.09  -0.06   0.18     0.04  -0.02   0.15     0.06   0.11   0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    351.7100               408.5685               430.4584
 Red. masses --      2.5746                 2.8090                 2.0125
 Frc consts  --      0.1876                 0.2763                 0.2197
 IR Inten    --      0.1304                 1.1043                 2.4950
 RamAct Fr= 1--      0.9774                 2.3873                 1.2548
  Dep-P Fr= 1--      0.1938                 0.4397                 0.6969
  Dep-U Fr= 1--      0.3246                 0.6108                 0.8214
 Alpha2 Fr= 1--      0.0135                 0.0152                 0.0012
 Beta2  Fr= 1--      0.0529                 0.2430                 0.1718
 AlphaG Fr= 1--      0.0101                -0.0053                 0.0053
 Gamma2 Fr= 1--      0.0570                 0.0327                -0.1477
 Delta2 Fr= 1--     -0.1498                 0.1121                -0.1833
 Raman1 Fr= 1--       3.910                  9.549                  5.019
 ROA1   Fr= 1--       0.674                  6.729                -20.048
 CID1   Fr= 1--       0.172                  0.705                 -3.994
 Raman2 Fr= 1--       0.635                  2.917                  2.061
 ROA2   Fr= 1--       2.566                 -0.111                 -2.079
 CID2   Fr= 1--       4.044                 -0.038                 -1.008
 Raman3 Fr= 1--       1.269                  5.833                  4.123
 ROA3   Fr= 1--       0.674                  6.729                -20.048
 CID3   Fr= 1--       0.531                  1.154                 -4.863
 RC180  Fr= 1--      -0.351                  0.222                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.03     0.07   0.00   0.07     0.01  -0.02   0.04
     2   6    -0.02  -0.04  -0.07     0.10  -0.02   0.06    -0.04   0.01  -0.06
     3   6    -0.09   0.10   0.03    -0.02   0.09   0.02     0.01  -0.01  -0.00
     4   6    -0.08   0.11   0.05    -0.10   0.01   0.07     0.10  -0.06   0.22
     5   6     0.00  -0.14  -0.04    -0.11  -0.05   0.03     0.02   0.02  -0.01
     6   6    -0.06   0.11   0.03    -0.07   0.01   0.01    -0.04   0.03  -0.11
     7   6     0.01  -0.00  -0.01    -0.01  -0.06  -0.02    -0.01   0.01   0.01
     8   6     0.03  -0.04  -0.07     0.16  -0.02   0.02    -0.00   0.06  -0.00
     9   1    -0.13  -0.05  -0.06     0.00  -0.00   0.04     0.03  -0.06   0.06
    10   1    -0.06  -0.06  -0.12     0.05   0.01   0.04    -0.08  -0.01  -0.10
    11   1     0.16  -0.18  -0.10    -0.08  -0.03   0.00     0.18   0.14  -0.15
    12   1    -0.20  -0.33  -0.02    -0.15  -0.07   0.02    -0.00   0.07  -0.12
    13   1     0.16  -0.18  -0.11    -0.12  -0.06   0.01    -0.23  -0.04  -0.06
    14   1     0.08  -0.05  -0.02    -0.08   0.07  -0.06    -0.02  -0.19   0.12
    15   1     0.06   0.03   0.01     0.00  -0.14  -0.12     0.08   0.15   0.16
    16   6     0.12  -0.01  -0.06    -0.14   0.04  -0.06     0.00  -0.02  -0.01
    17   6     0.09  -0.02   0.15     0.18  -0.01  -0.10    -0.02  -0.01   0.01
    18   1     0.14   0.00   0.04    -0.19   0.10  -0.41    -0.01  -0.10   0.00
    19   1     0.19  -0.01  -0.12    -0.33   0.05   0.10    -0.03  -0.07   0.05
    20   1     0.14  -0.01  -0.07    -0.31   0.04   0.06     0.05  -0.04  -0.12
    21   1     0.34   0.01   0.21     0.05   0.02  -0.12    -0.00  -0.06   0.01
    22   1     0.05  -0.01   0.20     0.23  -0.02  -0.16    -0.10  -0.02   0.04
    23   1    -0.07  -0.02   0.32     0.24  -0.01  -0.16     0.03  -0.05  -0.00
    24   1    -0.15   0.09   0.01    -0.09  -0.03  -0.13    -0.04  -0.29  -0.37
    25   1    -0.14   0.14   0.03     0.03   0.25  -0.07    -0.10   0.43  -0.14
    26   1    -0.02   0.16   0.03    -0.03   0.09  -0.04    -0.13   0.07  -0.34
                     13                     14                     15
                      A                      A                      A
 Frequencies --    465.2975               509.7347               580.4267
 Red. masses --      2.3762                 4.0923                 4.0635
 Frc consts  --      0.3031                 0.6265                 0.8066
 IR Inten    --      0.8969                 0.5477                 0.3997
 RamAct Fr= 1--      0.2498                 2.1827                 3.3804
  Dep-P Fr= 1--      0.7184                 0.6694                 0.5236
  Dep-U Fr= 1--      0.8362                 0.8020                 0.6873
 Alpha2 Fr= 1--      0.0001                 0.0031                 0.0149
 Beta2  Fr= 1--      0.0348                 0.2918                 0.3872
 AlphaG Fr= 1--      0.0011                -0.0023                -0.0123
 Gamma2 Fr= 1--      0.0699                 0.1205                -0.3440
 Delta2 Fr= 1--      0.1030                -0.0149                 0.1631
 Raman1 Fr= 1--       0.999                  8.731                 13.522
 ROA1   Fr= 1--      10.007                 11.095                -27.804
 CID1   Fr= 1--      10.015                  1.271                 -2.056
 Raman2 Fr= 1--       0.418                  3.501                  4.647
 ROA2   Fr= 1--       0.854                  3.011                 -9.561
 CID2   Fr= 1--       2.045                  0.860                 -2.058
 Raman3 Fr= 1--       0.835                  7.002                  9.294
 ROA3   Fr= 1--      10.007                 11.095                -27.804
 CID3   Fr= 1--      11.978                  1.585                 -2.992
 RC180  Fr= 1--       0.672                  0.604                  0.375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.07   0.14    -0.03   0.13  -0.03    -0.20   0.03   0.16
     2   6    -0.06   0.01  -0.15     0.21   0.08  -0.10     0.01   0.08   0.12
     3   6    -0.01   0.01  -0.01    -0.03   0.06   0.03    -0.18  -0.19  -0.00
     4   6    -0.04   0.05  -0.12    -0.12  -0.06   0.07     0.01  -0.06  -0.04
     5   6     0.00  -0.00   0.00    -0.20  -0.13   0.03     0.00  -0.05  -0.01
     6   6     0.01  -0.00   0.07     0.12  -0.08  -0.07     0.17  -0.05  -0.08
     7   6    -0.00  -0.01   0.00     0.21  -0.07  -0.06     0.11   0.21   0.03
     8   6     0.05   0.20   0.05    -0.06   0.09   0.04     0.04   0.04  -0.03
     9   1     0.13  -0.21   0.24     0.00  -0.06   0.07    -0.27   0.24   0.03
    10   1    -0.17  -0.04  -0.28     0.33   0.05  -0.01    -0.12  -0.15  -0.15
    11   1    -0.08  -0.06   0.07    -0.13  -0.12  -0.01     0.03  -0.08  -0.02
    12   1     0.01  -0.03   0.07    -0.26  -0.16   0.01    -0.05  -0.11   0.01
    13   1     0.14   0.02   0.02    -0.21  -0.14   0.02     0.09  -0.06  -0.04
    14   1     0.12  -0.15   0.03     0.18  -0.22   0.03    -0.04   0.38  -0.00
    15   1    -0.05   0.09   0.14     0.16   0.05   0.10     0.04   0.07  -0.13
    16   6    -0.01  -0.05  -0.01     0.01  -0.03   0.06     0.00   0.01  -0.08
    17   6     0.01  -0.02  -0.01    -0.12   0.05   0.01     0.08  -0.00   0.00
    18   1    -0.05  -0.23  -0.06     0.02  -0.14   0.19    -0.02  -0.01  -0.18
    19   1    -0.14  -0.21   0.27     0.04  -0.09   0.10    -0.07  -0.02   0.01
    20   1     0.04  -0.13  -0.31     0.12  -0.05  -0.12    -0.03  -0.01  -0.13
    21   1    -0.03  -0.12  -0.03    -0.17   0.08   0.00     0.16   0.00   0.02
    22   1    -0.21  -0.07   0.02    -0.11   0.05  -0.03     0.06   0.00   0.04
    23   1     0.20  -0.13  -0.08    -0.09   0.05  -0.01     0.02   0.00   0.06
    24   1    -0.18   0.02   0.03     0.16   0.09   0.04    -0.29  -0.28  -0.12
    25   1     0.13   0.00  -0.07    -0.02  -0.04   0.06    -0.10  -0.01  -0.12
    26   1     0.06  -0.04   0.22     0.25   0.09  -0.09     0.12  -0.10  -0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --    686.5165               724.3458               772.3555
 Red. masses --      3.1662                 4.1366                 2.8073
 Frc consts  --      0.8792                 1.2787                 0.9867
 IR Inten    --      0.1763                 1.4356                 2.2058
 RamAct Fr= 1--      9.8884                15.2936                 6.7397
  Dep-P Fr= 1--      0.1591                 0.0764                 0.4631
  Dep-U Fr= 1--      0.2745                 0.1419                 0.6330
 Alpha2 Fr= 1--      0.1494                 0.2836                 0.0392
 Beta2  Fr= 1--      0.4524                 0.3616                 0.7111
 AlphaG Fr= 1--      0.0675                 0.1803                -0.1808
 Gamma2 Fr= 1--     -0.8090                -0.8239                 1.1995
 Delta2 Fr= 1--     -0.3814                -0.9013                 1.1807
 Raman1 Fr= 1--      39.554                 61.174                 26.959
 ROA1   Fr= 1--     -89.865               -107.932                152.937
 CID1   Fr= 1--      -2.272                 -1.764                  5.673
 Raman2 Fr= 1--       5.429                  4.339                  8.533
 ROA2   Fr= 1--     -16.364                -12.563                 19.344
 CID2   Fr= 1--      -3.014                 -2.895                  2.267
 Raman3 Fr= 1--      10.858                  8.679                 17.066
 ROA3   Fr= 1--     -89.865               -107.932                152.937
 CID3   Fr= 1--      -8.276                -12.436                  8.961
 RC180  Fr= 1--      -0.451                 -0.716                  0.266
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.13  -0.10     0.17  -0.15  -0.04    -0.01   0.07   0.20
     2   6    -0.10  -0.01  -0.14    -0.04   0.04  -0.05     0.02   0.10  -0.13
     3   6    -0.05  -0.01  -0.04     0.11  -0.12  -0.07     0.05   0.13   0.08
     4   6     0.02  -0.02   0.02    -0.02   0.02   0.02     0.00  -0.05  -0.05
     5   6     0.02   0.00  -0.00    -0.21  -0.09   0.05     0.03   0.00  -0.01
     6   6     0.02  -0.01  -0.01    -0.02   0.11   0.04     0.01  -0.08  -0.01
     7   6    -0.02   0.05  -0.05     0.03   0.33   0.02    -0.05   0.05  -0.03
     8   6     0.04  -0.03   0.06    -0.03  -0.09  -0.02    -0.04  -0.19  -0.04
     9   1    -0.14   0.18  -0.14     0.27  -0.13  -0.01    -0.11  -0.10   0.24
    10   1    -0.14  -0.06  -0.21     0.09  -0.03   0.01     0.00  -0.04  -0.24
    11   1     0.08   0.03  -0.05    -0.19  -0.07   0.03    -0.07   0.03   0.03
    12   1    -0.00   0.01  -0.05    -0.25  -0.10   0.02     0.15   0.11  -0.02
    13   1    -0.06  -0.02  -0.01    -0.26  -0.10   0.05    -0.02   0.04   0.03
    14   1     0.09  -0.20   0.03     0.13   0.14   0.08    -0.09  -0.13   0.07
    15   1    -0.00   0.21   0.15     0.09   0.43   0.13    -0.14   0.20   0.17
    16   6    -0.05  -0.04   0.25    -0.01  -0.02   0.02    -0.00  -0.04  -0.03
    17   6     0.20  -0.04  -0.03     0.00  -0.02  -0.01    -0.02  -0.04  -0.01
    18   1    -0.06  -0.03   0.20     0.01   0.06   0.05     0.01   0.04  -0.03
    19   1    -0.10  -0.04   0.30     0.05   0.06  -0.12     0.04   0.07  -0.18
    20   1    -0.09  -0.04   0.30    -0.01   0.02   0.17    -0.02   0.02   0.16
    21   1     0.10  -0.00  -0.05    -0.03   0.01  -0.01     0.03   0.13   0.03
    22   1     0.28  -0.03  -0.10     0.07  -0.01  -0.03     0.33   0.05  -0.02
    23   1     0.26  -0.03  -0.09    -0.03   0.02  -0.02    -0.31   0.16   0.08
    24   1     0.15   0.09   0.07     0.10  -0.10  -0.03    -0.03   0.02  -0.06
    25   1    -0.12  -0.19   0.06     0.14  -0.15  -0.06     0.25   0.26  -0.07
    26   1     0.04  -0.07   0.12    -0.05  -0.02   0.20     0.03  -0.18   0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    805.5720               835.8320               917.7812
 Red. masses --      1.5377                 1.8369                 2.9519
 Frc consts  --      0.5880                 0.7561                 1.4650
 IR Inten    --     12.4185                 0.2313                 2.0172
 RamAct Fr= 1--      2.0149                 6.9696                 0.7282
  Dep-P Fr= 1--      0.5714                 0.0673                 0.5442
  Dep-U Fr= 1--      0.7272                 0.1261                 0.7049
 Alpha2 Fr= 1--      0.0068                 0.1321                 0.0029
 Beta2  Fr= 1--      0.2442                 0.1465                 0.0855
 AlphaG Fr= 1--      0.0720                -0.2911                 0.0045
 Gamma2 Fr= 1--      3.5447                -1.5051                -0.8702
 Delta2 Fr= 1--      1.8481                -1.1027                -0.5664
 Raman1 Fr= 1--       8.060                 27.878                  2.913
 ROA1   Fr= 1--     399.434               -179.773               -101.666
 CID1   Fr= 1--      49.559                 -6.449                -34.902
 Raman2 Fr= 1--       2.931                  1.758                  1.027
 ROA2   Fr= 1--      70.289                -27.300                -16.354
 CID2   Fr= 1--      23.984                -15.528                -15.930
 Raman3 Fr= 1--       5.861                  3.516                  2.053
 ROA3   Fr= 1--     399.434               -179.773               -101.666
 CID3   Fr= 1--      68.148                -51.128                -49.516
 RC180  Fr= 1--       0.454                 -0.748                  0.410
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.05  -0.01    -0.01   0.06   0.05     0.04  -0.13  -0.08
     2   6     0.11   0.05   0.03    -0.13  -0.10   0.08    -0.11  -0.02   0.06
     3   6    -0.10  -0.03  -0.03     0.08   0.05  -0.02    -0.04   0.21   0.10
     4   6     0.01  -0.01   0.04     0.01   0.00   0.01     0.02  -0.04  -0.03
     5   6     0.06   0.02   0.01    -0.04  -0.03   0.03    -0.02  -0.05  -0.01
     6   6    -0.05   0.00  -0.05     0.03   0.03  -0.08     0.18  -0.12  -0.08
     7   6    -0.06   0.02  -0.05     0.03  -0.03  -0.06    -0.04   0.08   0.01
     8   6    -0.00   0.02   0.01     0.03   0.00   0.03    -0.03   0.04  -0.02
     9   1     0.07  -0.20   0.09    -0.07   0.36  -0.12    -0.12  -0.27  -0.10
    10   1     0.22   0.10   0.16    -0.23  -0.22  -0.08     0.13   0.09   0.36
    11   1     0.23   0.11  -0.12     0.05   0.06  -0.06    -0.14  -0.01   0.04
    12   1    -0.01   0.03  -0.12    -0.07   0.01  -0.08     0.12   0.08  -0.01
    13   1    -0.12  -0.05  -0.05    -0.21  -0.07  -0.00    -0.08   0.00   0.05
    14   1    -0.20  -0.21   0.12     0.00  -0.14   0.01    -0.12   0.01   0.08
    15   1     0.08   0.19   0.13     0.27   0.03  -0.04    -0.12   0.11   0.07
    16   6     0.01   0.01  -0.02     0.02   0.00  -0.06    -0.02  -0.02   0.02
    17   6     0.01   0.00  -0.00    -0.04   0.02   0.02     0.06   0.04  -0.02
    18   1     0.00  -0.01  -0.05     0.02   0.04  -0.11     0.00   0.05   0.10
    19   1    -0.01  -0.01   0.01     0.00   0.03  -0.06     0.04   0.05  -0.10
    20   1     0.00  -0.00  -0.06    -0.01   0.01  -0.01     0.00   0.02   0.11
    21   1     0.01   0.00  -0.00    -0.08  -0.02   0.01     0.15  -0.15  -0.03
    22   1     0.01  -0.00  -0.00    -0.12  -0.01   0.01    -0.25  -0.03   0.05
    23   1     0.01   0.00  -0.00     0.03  -0.03  -0.01     0.23  -0.14  -0.01
    24   1    -0.10   0.10   0.15     0.09   0.08   0.01    -0.21   0.16   0.06
    25   1    -0.12  -0.22   0.06     0.20  -0.01  -0.05    -0.15   0.27   0.12
    26   1     0.15  -0.19   0.61     0.28  -0.10   0.56     0.15  -0.18  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    937.4637               953.4522               962.3729
 Red. masses --      1.8776                 1.7582                 1.7249
 Frc consts  --      0.9722                 0.9417                 0.9412
 IR Inten    --      1.2735                 3.2078                 3.5145
 RamAct Fr= 1--      0.5018                 2.8564                 5.7921
  Dep-P Fr= 1--      0.6603                 0.5517                 0.7483
  Dep-U Fr= 1--      0.7954                 0.7111                 0.8561
 Alpha2 Fr= 1--      0.0008                 0.0108                 0.0002
 Beta2  Fr= 1--      0.0665                 0.3385                 0.8264
 AlphaG Fr= 1--      0.0126                 0.0759                 0.0051
 Gamma2 Fr= 1--      0.5121                -0.8347                 1.3862
 Delta2 Fr= 1--      0.1918                -0.9097                 0.5890
 Raman1 Fr= 1--       2.007                 11.426                 23.168
 ROA1   Fr= 1--      55.304               -109.244                151.926
 CID1   Fr= 1--      27.550                 -9.561                  6.557
 Raman2 Fr= 1--       0.798                  4.062                  9.917
 ROA2   Fr= 1--      10.756                -12.756                 28.557
 CID2   Fr= 1--      13.474                 -3.140                  2.880
 Raman3 Fr= 1--       1.597                  8.124                 19.834
 ROA3   Fr= 1--      55.304               -109.244                151.926
 CID3   Fr= 1--      34.638                -13.446                  7.660
 RC180  Fr= 1--       0.591                  0.422                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01  -0.00    -0.03  -0.03  -0.06     0.03  -0.06   0.02
     2   6     0.04  -0.09  -0.01     0.10  -0.01   0.01     0.01   0.05  -0.01
     3   6    -0.02   0.12  -0.07     0.04  -0.03   0.13     0.01   0.04  -0.04
     4   6     0.05  -0.07  -0.00    -0.00  -0.02  -0.05     0.01   0.01   0.02
     5   6     0.03  -0.07  -0.01     0.02  -0.02  -0.04    -0.01  -0.01   0.04
     6   6    -0.10  -0.01   0.02    -0.12   0.02   0.00     0.01   0.02  -0.10
     7   6     0.06   0.09   0.05     0.05   0.02  -0.00     0.02  -0.05   0.13
     8   6     0.03   0.02   0.04     0.01   0.04  -0.06    -0.03   0.01  -0.08
     9   1    -0.00  -0.18   0.11    -0.27   0.15  -0.26     0.08  -0.03   0.03
    10   1     0.00  -0.20  -0.12     0.03  -0.12  -0.13    -0.31   0.08  -0.29
    11   1    -0.18   0.10   0.02    -0.23  -0.02   0.09     0.12   0.07  -0.07
    12   1     0.35   0.26  -0.09     0.22   0.13   0.01    -0.08  -0.02  -0.06
    13   1    -0.32   0.01   0.12     0.00   0.07   0.07    -0.14  -0.07  -0.02
    14   1     0.14   0.19  -0.03     0.04   0.04  -0.01    -0.17   0.39  -0.03
    15   1     0.13  -0.02  -0.10     0.16  -0.01  -0.06    -0.08  -0.34  -0.22
    16   6     0.03   0.03  -0.03    -0.04  -0.00   0.07    -0.05   0.01   0.08
    17   6    -0.02  -0.01   0.02    -0.01   0.03  -0.02     0.01  -0.03  -0.06
    18   1    -0.00  -0.04  -0.13    -0.02  -0.04   0.19    -0.04  -0.08   0.22
    19   1    -0.06  -0.06   0.15     0.02  -0.02   0.05     0.02  -0.06   0.09
    20   1    -0.00  -0.02  -0.17     0.04  -0.01   0.00     0.04  -0.02  -0.07
    21   1    -0.10   0.06   0.01     0.08  -0.05  -0.01     0.27   0.02   0.01
    22   1     0.07   0.00  -0.03    -0.15   0.01   0.04     0.08   0.03   0.08
    23   1    -0.02   0.03  -0.01     0.01  -0.04   0.03    -0.24   0.06   0.10
    24   1     0.11   0.28   0.15    -0.18  -0.29  -0.20     0.01   0.14   0.09
    25   1    -0.10  -0.19   0.09     0.03   0.38  -0.04     0.03  -0.11   0.01
    26   1    -0.28  -0.14  -0.13    -0.03  -0.15   0.41     0.14  -0.02   0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    975.4490               996.2290              1017.0045
 Red. masses --      1.3716                 1.5196                 1.7075
 Frc consts  --      0.7689                 0.8886                 1.0406
 IR Inten    --      3.1744                 3.8415                 2.2438
 RamAct Fr= 1--      1.6589                 1.4504                 4.7292
  Dep-P Fr= 1--      0.7480                 0.5533                 0.5428
  Dep-U Fr= 1--      0.8559                 0.7124                 0.7037
 Alpha2 Fr= 1--      0.0001                 0.0054                 0.0188
 Beta2  Fr= 1--      0.2366                 0.1722                 0.5546
 AlphaG Fr= 1--     -0.0011                 0.0188                 0.1146
 Gamma2 Fr= 1--      0.3903                 0.3129                -3.8370
 Delta2 Fr= 1--     -0.0000                 0.3349                -1.3212
 Raman1 Fr= 1--       6.636                  5.801                 18.917
 ROA1   Fr= 1--      37.468                 40.755               -410.629
 CID1   Fr= 1--       5.646                  7.025                -21.707
 Raman2 Fr= 1--       2.840                  2.067                  6.656
 ROA2   Fr= 1--       9.367                  4.830                -81.519
 CID2   Fr= 1--       3.299                  2.337                -12.248
 Raman3 Fr= 1--       5.679                  4.133                 13.311
 ROA3   Fr= 1--      37.468                 40.755               -410.629
 CID3   Fr= 1--       6.597                  9.860                -30.848
 RC180  Fr= 1--       0.712                  0.425                  0.407
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01    -0.08   0.07   0.03    -0.01   0.05  -0.08
     2   6    -0.00   0.00   0.01    -0.07  -0.02   0.02    -0.04  -0.03  -0.08
     3   6     0.01   0.00   0.01     0.05  -0.03   0.00    -0.00  -0.02   0.07
     4   6     0.00   0.00  -0.00     0.02   0.00  -0.01    -0.00  -0.01   0.01
     5   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01    -0.02   0.04  -0.02
     6   6    -0.01   0.01  -0.01    -0.02   0.05   0.00     0.00   0.00  -0.10
     7   6     0.01  -0.01   0.01     0.03  -0.03  -0.01    -0.00   0.02   0.11
     8   6    -0.07   0.01   0.03    -0.08   0.02  -0.00     0.05  -0.02   0.05
     9   1     0.01   0.02   0.01     0.14  -0.38   0.35     0.08  -0.29   0.11
    10   1    -0.01  -0.02  -0.02     0.24   0.16   0.43     0.05   0.14   0.11
    11   1    -0.01   0.00   0.00    -0.11  -0.02   0.04    -0.02  -0.10   0.04
    12   1     0.01   0.01  -0.00     0.06   0.04   0.01    -0.11  -0.10   0.08
    13   1    -0.01   0.00   0.00    -0.03   0.02   0.04     0.23   0.04  -0.04
    14   1    -0.01   0.03  -0.01     0.17  -0.02  -0.07    -0.00   0.28  -0.03
    15   1     0.01  -0.04  -0.03     0.14  -0.05  -0.07    -0.12  -0.18  -0.12
    16   6    -0.09   0.03  -0.07    -0.01   0.02  -0.01     0.07   0.01  -0.02
    17   6     0.09  -0.03   0.06     0.07  -0.01  -0.08    -0.03  -0.03   0.07
    18   1    -0.00  -0.10   0.50    -0.01  -0.03   0.06     0.02   0.01  -0.29
    19   1     0.26  -0.04  -0.30     0.01  -0.02   0.01    -0.11  -0.02   0.17
    20   1     0.28   0.04  -0.30     0.02   0.00  -0.08    -0.09  -0.02  -0.01
    21   1    -0.35   0.08  -0.02     0.42  -0.06  -0.01    -0.34   0.11   0.02
    22   1     0.28  -0.05  -0.21     0.02   0.02   0.12     0.18  -0.01  -0.12
    23   1     0.28   0.02  -0.20    -0.09  -0.02   0.12     0.05   0.05  -0.10
    24   1    -0.01  -0.01  -0.01     0.16  -0.09  -0.09     0.07  -0.15  -0.13
    25   1     0.02   0.02  -0.01     0.11   0.04  -0.05    -0.09   0.18   0.02
    26   1     0.02  -0.00   0.05     0.03   0.02   0.13     0.10  -0.18   0.34
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1034.6888              1056.4474              1074.6046
 Red. masses --      1.5421                 1.5889                 1.4831
 Frc consts  --      0.9727                 1.0448                 1.0090
 IR Inten    --      0.2628                 1.8168                 0.2871
 RamAct Fr= 1--      1.5798                 4.1696                 1.4365
  Dep-P Fr= 1--      0.5008                 0.2836                 0.5436
  Dep-U Fr= 1--      0.6674                 0.4418                 0.7043
 Alpha2 Fr= 1--      0.0078                 0.0449                 0.0057
 Beta2  Fr= 1--      0.1757                 0.3070                 0.1686
 AlphaG Fr= 1--      0.0054                 0.0159                -0.0601
 Gamma2 Fr= 1--     -0.6590                -0.4653                 1.8639
 Delta2 Fr= 1--     -0.3559                -0.2392                 0.7812
 Raman1 Fr= 1--       6.319                 16.678                  5.746
 ROA1   Fr= 1--     -74.648                -52.326                203.938
 CID1   Fr= 1--     -11.813                 -3.137                 35.492
 Raman2 Fr= 1--       2.109                  3.684                  2.023
 ROA2   Fr= 1--     -12.968                 -9.254                 38.485
 CID2   Fr= 1--      -6.150                 -2.512                 19.019
 Raman3 Fr= 1--       4.217                  7.369                  4.047
 ROA3   Fr= 1--     -74.648                -52.326                203.938
 CID3   Fr= 1--     -17.701                 -7.101                 50.393
 RC180  Fr= 1--       0.335                 -0.116                  0.409
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.05    -0.04   0.00   0.00    -0.00  -0.01   0.02
     2   6    -0.02   0.04  -0.08     0.05  -0.08   0.00     0.02   0.01   0.03
     3   6    -0.05  -0.02  -0.02     0.05   0.05  -0.02    -0.01   0.02  -0.06
     4   6    -0.01  -0.01   0.00    -0.05  -0.04  -0.00     0.04  -0.03   0.12
     5   6     0.04  -0.02   0.01    -0.00   0.12   0.04    -0.04   0.03  -0.13
     6   6    -0.05   0.02  -0.03    -0.05  -0.08  -0.00    -0.00   0.01  -0.02
     7   6     0.06  -0.03   0.06     0.02   0.07   0.02    -0.01  -0.00  -0.02
     8   6     0.00  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.00   0.00
     9   1     0.01  -0.01   0.07    -0.10  -0.17   0.05     0.11  -0.04   0.10
    10   1     0.07   0.10   0.05     0.08  -0.27  -0.10    -0.16  -0.10  -0.21
    11   1     0.04   0.09  -0.04     0.39  -0.03  -0.09    -0.41  -0.30   0.22
    12   1     0.11   0.09  -0.07    -0.40  -0.25   0.05     0.10  -0.05   0.25
    13   1    -0.15  -0.03   0.02     0.28  -0.05  -0.18     0.47   0.23   0.07
    14   1     0.15   0.17  -0.09     0.01   0.06   0.02    -0.08  -0.04   0.03
    15   1    -0.03  -0.17  -0.10     0.04   0.03  -0.02     0.03   0.03   0.02
    16   6    -0.01  -0.11  -0.02    -0.03  -0.01  -0.00    -0.02  -0.03  -0.01
    17   6     0.02   0.08   0.03     0.01   0.05  -0.02     0.01   0.02  -0.01
    18   1     0.05   0.20   0.00    -0.00   0.01   0.11     0.01   0.05   0.04
    19   1     0.07   0.19  -0.40     0.05   0.01  -0.09     0.03   0.05  -0.13
    20   1    -0.04   0.04   0.47     0.04   0.01   0.01     0.01   0.01   0.10
    21   1    -0.07  -0.15  -0.03     0.13  -0.09  -0.02     0.06  -0.04  -0.01
    22   1    -0.34  -0.03  -0.01    -0.21   0.00   0.05    -0.10   0.00   0.03
    23   1     0.34  -0.16  -0.06     0.10  -0.09   0.03     0.04  -0.04   0.01
    24   1    -0.06   0.02   0.05     0.21   0.03  -0.06     0.18   0.10   0.04
    25   1     0.02  -0.08  -0.02     0.20  -0.02  -0.06    -0.16  -0.13   0.08
    26   1    -0.02   0.01   0.05    -0.21  -0.25  -0.03     0.08  -0.01   0.15
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1101.9875              1126.9741              1167.7442
 Red. masses --      1.6220                 1.5320                 2.1875
 Frc consts  --      1.1605                 1.1464                 1.7575
 IR Inten    --      1.2348                 0.9867                 1.9822
 RamAct Fr= 1--      2.8289                 2.2673                 2.8166
  Dep-P Fr= 1--      0.5172                 0.6003                 0.7468
  Dep-U Fr= 1--      0.6818                 0.7502                 0.8551
 Alpha2 Fr= 1--      0.0129                 0.0063                 0.0002
 Beta2  Fr= 1--      0.3215                 0.2835                 0.4014
 AlphaG Fr= 1--      0.0050                 0.0155                 0.0023
 Gamma2 Fr= 1--     -0.1687                 0.0982                -3.1451
 Delta2 Fr= 1--      0.1157                -0.1315                -1.1587
 Raman1 Fr= 1--      11.316                  9.069                 11.266
 ROA1   Fr= 1--     -12.491                  5.216               -339.005
 CID1   Fr= 1--      -1.104                  0.575                -30.090
 Raman2 Fr= 1--       3.858                  3.402                  4.817
 ROA2   Fr= 1--      -4.975                  3.408                -66.213
 CID2   Fr= 1--      -1.290                  1.002                -13.746
 Raman3 Fr= 1--       7.715                  6.804                  9.634
 ROA3   Fr= 1--     -12.491                  5.216               -339.005
 CID3   Fr= 1--      -1.619                  0.767                -35.190
 RC180  Fr= 1--       0.364                  0.500                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.07     0.07   0.05  -0.06    -0.09  -0.07   0.03
     2   6    -0.08   0.01  -0.06    -0.03   0.01   0.07     0.04   0.00  -0.02
     3   6    -0.06   0.02  -0.01    -0.05   0.00   0.05     0.04   0.03  -0.04
     4   6    -0.03  -0.05   0.06    -0.04  -0.03  -0.02     0.18   0.02  -0.03
     5   6     0.02   0.05  -0.03     0.02   0.02   0.01    -0.09   0.00   0.02
     6   6    -0.06  -0.04  -0.03    -0.02  -0.05   0.01    -0.00   0.04   0.00
     7   6     0.07   0.01   0.01     0.05   0.02  -0.04    -0.04  -0.04   0.01
     8   6    -0.00  -0.00   0.00     0.02   0.08   0.02     0.03   0.16   0.00
     9   1    -0.11   0.49  -0.27     0.39  -0.10   0.17    -0.44   0.01  -0.17
    10   1     0.31   0.14   0.39    -0.35   0.08  -0.17     0.18   0.11   0.17
    11   1     0.01  -0.08   0.03     0.10   0.02  -0.03    -0.06  -0.08   0.04
    12   1    -0.00  -0.04   0.07    -0.03  -0.01  -0.02    -0.24  -0.16   0.06
    13   1     0.22   0.07  -0.03     0.03  -0.02  -0.04    -0.02  -0.03  -0.02
    14   1     0.29   0.05  -0.10     0.20  -0.08  -0.06     0.05  -0.04  -0.03
    15   1     0.05  -0.04  -0.06     0.33   0.03  -0.08    -0.02  -0.04   0.01
    16   6    -0.01   0.03   0.00    -0.02  -0.06  -0.01    -0.00  -0.08  -0.00
    17   6    -0.01  -0.03  -0.03    -0.02  -0.07  -0.02    -0.01  -0.08   0.01
    18   1    -0.02  -0.07   0.05     0.02   0.12   0.07     0.04   0.19  -0.02
    19   1     0.00  -0.06   0.09     0.05   0.10  -0.22    -0.01   0.15  -0.22
    20   1     0.04  -0.01  -0.16     0.02   0.03   0.22    -0.03   0.02   0.33
    21   1     0.08   0.03   0.01     0.06   0.13   0.03    -0.07   0.18   0.04
    22   1     0.10   0.01   0.03     0.24   0.02   0.04     0.31   0.01  -0.03
    23   1    -0.16   0.05   0.05    -0.25   0.12   0.03    -0.20   0.15  -0.03
    24   1    -0.10   0.09   0.09    -0.16  -0.04   0.01    -0.08   0.08   0.06
    25   1    -0.01  -0.10   0.02    -0.21   0.11   0.07     0.08  -0.04  -0.03
    26   1    -0.12  -0.18   0.06    -0.14  -0.17  -0.02    -0.16  -0.15   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1175.2664              1181.0463              1228.3775
 Red. masses --      1.8258                 2.0225                 1.9037
 Frc consts  --      1.4858                 1.6622                 1.6924
 IR Inten    --      4.6270                 1.4429                 2.3664
 RamAct Fr= 1--      2.0961                 3.8628                 3.9011
  Dep-P Fr= 1--      0.6017                 0.6321                 0.4939
  Dep-U Fr= 1--      0.7513                 0.7746                 0.6613
 Alpha2 Fr= 1--      0.0057                 0.0083                 0.0198
 Beta2  Fr= 1--      0.2625                 0.4987                 0.4299
 AlphaG Fr= 1--     -0.0091                -0.0121                 0.0285
 Gamma2 Fr= 1--      3.4612                 0.1317                -0.8469
 Delta2 Fr= 1--      2.8120                -0.1187                -0.4590
 Raman1 Fr= 1--       8.385                 15.451                 15.604
 ROA1   Fr= 1--     422.261                  8.850                -95.993
 CID1   Fr= 1--      50.362                  0.573                 -6.152
 Raman2 Fr= 1--       3.150                  5.984                  5.159
 ROA2   Fr= 1--      60.573                  4.111                -16.654
 CID2   Fr= 1--      19.231                  0.687                 -3.228
 Raman3 Fr= 1--       6.300                 11.968                 10.318
 ROA3   Fr= 1--     422.261                  8.850                -95.993
 CID3   Fr= 1--      67.029                  0.739                 -9.303
 RC180  Fr= 1--       0.503                  0.549                  0.323
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02    -0.06  -0.12  -0.00     0.02   0.06   0.01
     2   6    -0.00   0.07   0.02    -0.05   0.13   0.07    -0.01  -0.07  -0.04
     3   6    -0.03   0.01   0.01     0.05   0.03  -0.03    -0.06  -0.02  -0.01
     4   6     0.17   0.00  -0.05    -0.10  -0.04   0.04    -0.02  -0.00   0.03
     5   6    -0.08   0.01   0.03     0.04   0.03  -0.02     0.01  -0.01  -0.02
     6   6    -0.01   0.01   0.02    -0.03  -0.03   0.02     0.05   0.01   0.03
     7   6     0.00  -0.05  -0.03     0.08  -0.01  -0.05    -0.05   0.03   0.00
     8   6    -0.01  -0.12  -0.05    -0.05   0.01  -0.09     0.20  -0.02  -0.06
     9   1     0.03  -0.06   0.07    -0.29  -0.26  -0.06    -0.25  -0.29   0.03
    10   1    -0.22   0.27  -0.04    -0.26   0.35   0.03    -0.07   0.36   0.20
    11   1    -0.02  -0.07   0.03     0.06   0.00  -0.01    -0.05  -0.02   0.01
    12   1    -0.25  -0.16   0.05     0.08   0.05   0.01     0.08   0.03   0.02
    13   1    -0.02  -0.04  -0.03     0.11   0.03  -0.01     0.02   0.03   0.03
    14   1     0.20  -0.09  -0.09     0.10  -0.05  -0.03    -0.26   0.02   0.09
    15   1     0.29  -0.03  -0.08     0.33   0.01  -0.09     0.39   0.02  -0.12
    16   6     0.01   0.05   0.02     0.05  -0.01   0.04    -0.08   0.01   0.02
    17   6     0.01   0.06   0.03     0.03  -0.02   0.07    -0.07   0.01   0.01
    18   1    -0.03  -0.12  -0.02     0.01   0.01  -0.18    -0.03  -0.05   0.32
    19   1    -0.02  -0.09   0.18    -0.12   0.02   0.16     0.13  -0.08  -0.07
    20   1    -0.02  -0.02  -0.18    -0.14  -0.03   0.08     0.16   0.04  -0.02
    21   1    -0.09  -0.12  -0.02    -0.26   0.05   0.01    -0.10   0.03   0.01
    22   1    -0.23  -0.02  -0.04     0.10  -0.05  -0.14    -0.12   0.01   0.04
    23   1     0.21  -0.10  -0.03     0.14   0.03  -0.12    -0.13   0.03   0.04
    24   1    -0.23   0.06   0.10     0.19   0.02  -0.05     0.04  -0.01  -0.00
    25   1    -0.16   0.04   0.06     0.30  -0.08  -0.09     0.30  -0.12  -0.13
    26   1    -0.31  -0.35  -0.01     0.06   0.12  -0.02    -0.01   0.02  -0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1248.5183              1258.0047              1330.5241
 Red. masses --      1.1761                 1.1570                 1.7353
 Frc consts  --      1.0802                 1.0788                 1.8099
 IR Inten    --      1.0034                 2.8588                 1.2728
 RamAct Fr= 1--      1.3641                 4.5428                 0.9164
  Dep-P Fr= 1--      0.6925                 0.7483                 0.3938
  Dep-U Fr= 1--      0.8183                 0.8561                 0.5651
 Alpha2 Fr= 1--      0.0014                 0.0001                 0.0069
 Beta2  Fr= 1--      0.1860                 0.6482                 0.0863
 AlphaG Fr= 1--     -0.0432                 0.0086                -0.0068
 Gamma2 Fr= 1--      2.4379                -0.8218                -0.1093
 Delta2 Fr= 1--      0.7965                -0.0692                 0.0855
 Raman1 Fr= 1--       5.456                 18.171                  3.666
 ROA1   Fr= 1--     259.523                -81.110                 -7.760
 CID1   Fr= 1--      47.564                 -4.464                 -2.117
 Raman2 Fr= 1--       2.233                  7.778                  1.036
 ROA2   Fr= 1--      52.136                -19.171                 -3.308
 CID2   Fr= 1--      23.352                 -2.465                 -3.194
 Raman3 Fr= 1--       4.465                 15.556                  2.071
 ROA3   Fr= 1--     259.523                -81.110                 -7.760
 CID3   Fr= 1--      58.122                 -5.214                 -3.746
 RC180  Fr= 1--       0.637                  0.712                  0.130
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.03     0.01  -0.04   0.05     0.03  -0.02  -0.03
     2   6     0.02  -0.00   0.07     0.01   0.01   0.02     0.07  -0.03  -0.03
     3   6    -0.01  -0.00  -0.01    -0.01   0.01  -0.01    -0.08   0.00   0.04
     4   6    -0.00  -0.01   0.03    -0.02   0.01  -0.05    -0.03   0.05   0.03
     5   6     0.00  -0.00  -0.00     0.01  -0.01   0.02     0.01  -0.03  -0.01
     6   6    -0.01   0.02  -0.05     0.00   0.01  -0.01     0.08   0.04  -0.01
     7   6    -0.02   0.00  -0.01    -0.01  -0.00  -0.01    -0.07  -0.01   0.02
     8   6     0.05  -0.02  -0.01     0.05  -0.01   0.01    -0.10  -0.00   0.13
     9   1    -0.09  -0.18   0.02    -0.17  -0.01  -0.05    -0.10   0.12  -0.16
    10   1    -0.14   0.04  -0.04    -0.10   0.16   0.03    -0.27   0.29  -0.13
    11   1     0.00  -0.01  -0.00     0.02   0.05  -0.02    -0.04   0.04  -0.01
    12   1     0.03   0.01   0.01    -0.01   0.02  -0.07     0.09   0.05  -0.00
    13   1     0.01   0.01   0.01    -0.04  -0.04  -0.02    -0.01   0.04   0.06
    14   1     0.62  -0.08  -0.21     0.22  -0.03  -0.08     0.10   0.02  -0.06
    15   1    -0.53   0.07   0.20    -0.12   0.03   0.06     0.17   0.00  -0.02
    16   6    -0.02   0.01   0.00    -0.02   0.00  -0.00     0.02  -0.00  -0.02
    17   6    -0.02   0.00  -0.00    -0.01   0.01  -0.01     0.02   0.00  -0.04
    18   1    -0.01  -0.02   0.08    -0.01  -0.01   0.07     0.01   0.04  -0.17
    19   1     0.04  -0.03  -0.01     0.05  -0.02  -0.05     0.01   0.08  -0.10
    20   1     0.05   0.02  -0.04     0.06   0.01  -0.02    -0.02  -0.03  -0.10
    21   1    -0.02   0.01   0.00    -0.01   0.00  -0.00     0.17  -0.03  -0.00
    22   1    -0.04   0.00   0.02    -0.06   0.00   0.03     0.06   0.04   0.07
    23   1    -0.05   0.01   0.02    -0.05   0.00   0.04     0.04  -0.08   0.04
    24   1    -0.20   0.03   0.06     0.66  -0.10  -0.23     0.26  -0.11  -0.14
    25   1     0.27  -0.07  -0.11    -0.51   0.07   0.19     0.46  -0.11  -0.16
    26   1     0.05   0.02   0.04     0.00  -0.04   0.07    -0.26  -0.36  -0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1342.0938              1367.2680              1382.7179
 Red. masses --      1.6989                 1.5152                 1.8457
 Frc consts  --      1.8029                 1.6689                 2.0791
 IR Inten    --      0.4319                 2.4702                 1.0211
 RamAct Fr= 1--     11.3380                 3.3254                 2.7543
  Dep-P Fr= 1--      0.3004                 0.6652                 0.6909
  Dep-U Fr= 1--      0.4620                 0.7990                 0.8172
 Alpha2 Fr= 1--      0.1161                 0.0050                 0.0029
 Beta2  Fr= 1--      0.8730                 0.4428                 0.3751
 AlphaG Fr= 1--     -0.0011                 0.0022                -0.0064
 Gamma2 Fr= 1--      0.3246                 2.3963                -1.7518
 Delta2 Fr= 1--      0.3398                 1.1808                -1.2213
 Raman1 Fr= 1--      45.352                 13.302                 11.017
 ROA1   Fr= 1--      42.032                267.829               -207.258
 CID1   Fr= 1--       0.927                 20.135                -18.813
 Raman2 Fr= 1--      10.477                  5.314                  4.502
 ROA2   Fr= 1--       5.071                 48.064                -32.274
 CID2   Fr= 1--       0.484                  9.045                 -7.169
 Raman3 Fr= 1--      20.953                 10.628                  9.003
 ROA3   Fr= 1--      42.032                267.829               -207.258
 CID3   Fr= 1--       2.006                 25.201                -23.020
 RC180  Fr= 1--      -0.076                  0.598                  0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.04    -0.10  -0.05  -0.01     0.10   0.03  -0.03
     2   6    -0.02   0.05  -0.02     0.01  -0.05  -0.02    -0.09   0.06   0.05
     3   6     0.05  -0.01  -0.02     0.06   0.00  -0.01    -0.12   0.00   0.03
     4   6     0.02  -0.06  -0.02    -0.02   0.03   0.02     0.06   0.02  -0.01
     5   6    -0.00   0.02   0.01     0.01   0.00  -0.00     0.01  -0.00  -0.00
     6   6    -0.05  -0.02   0.02    -0.02  -0.01   0.00    -0.04   0.03   0.02
     7   6     0.04   0.01  -0.00     0.13   0.01  -0.06     0.15  -0.04  -0.05
     8   6     0.00  -0.04   0.20     0.04  -0.02   0.04     0.00   0.00  -0.00
     9   1    -0.51  -0.28  -0.18     0.28   0.23   0.06    -0.21  -0.30  -0.04
    10   1    -0.18   0.15  -0.10    -0.25   0.54   0.13     0.06  -0.33  -0.07
    11   1     0.04  -0.05   0.01    -0.03   0.01   0.01    -0.10  -0.00   0.05
    12   1    -0.06  -0.03   0.02    -0.02  -0.03   0.01    -0.07  -0.07   0.00
    13   1     0.02  -0.03  -0.05    -0.03   0.02   0.02    -0.11   0.00   0.02
    14   1    -0.10   0.07   0.03    -0.36   0.01   0.13    -0.40  -0.02   0.15
    15   1     0.09   0.01  -0.02    -0.41   0.06   0.13    -0.39  -0.03   0.10
    16   6    -0.01   0.01  -0.03    -0.01  -0.00  -0.01     0.00   0.01   0.00
    17   6    -0.01   0.01  -0.06    -0.00   0.01  -0.01    -0.00  -0.02  -0.00
    18   1    -0.02   0.02  -0.13    -0.01   0.02   0.00    -0.01  -0.03  -0.00
    19   1     0.11   0.02  -0.15     0.05  -0.01  -0.05     0.01  -0.01   0.01
    20   1     0.11  -0.00  -0.17     0.06   0.01  -0.02    -0.01   0.00  -0.01
    21   1     0.16  -0.04  -0.01    -0.00   0.01  -0.00    -0.01   0.03   0.00
    22   1     0.02   0.06   0.15    -0.05   0.01   0.06     0.03  -0.00   0.01
    23   1    -0.04  -0.11   0.12    -0.00  -0.03   0.03    -0.05   0.03   0.00
    24   1    -0.27   0.02   0.06    -0.11   0.04   0.06     0.28  -0.09  -0.13
    25   1    -0.17  -0.01   0.07    -0.00   0.07   0.00     0.25  -0.11  -0.09
    26   1     0.24   0.35   0.00    -0.17  -0.18   0.01    -0.22  -0.19   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1400.2852              1411.6491              1415.8255
 Red. masses --      1.7787                 1.3059                 1.2859
 Frc consts  --      2.0549                 1.5333                 1.5187
 IR Inten    --      0.2450                 5.3974                 2.6824
 RamAct Fr= 1--     11.3571                 0.8371                 8.2888
  Dep-P Fr= 1--      0.4593                 0.6555                 0.3782
  Dep-U Fr= 1--      0.6295                 0.7919                 0.5488
 Alpha2 Fr= 1--      0.0670                 0.0014                 0.0663
 Beta2  Fr= 1--      1.1915                 0.1105                 0.7582
 AlphaG Fr= 1--      0.0154                 0.0006                -0.0208
 Gamma2 Fr= 1--     -3.1178                 0.0596                -0.8582
 Delta2 Fr= 1--     -1.8511                 0.0018                -0.7277
 Raman1 Fr= 1--      45.428                  3.348                 33.155
 ROA1   Fr= 1--    -358.540                  5.781               -105.671
 CID1   Fr= 1--      -7.892                  1.727                 -3.187
 Raman2 Fr= 1--      14.298                  1.326                  9.098
 ROA2   Fr= 1--     -60.018                  1.417                -14.774
 CID2   Fr= 1--      -4.198                  1.069                 -1.624
 Raman3 Fr= 1--      28.595                  2.652                 18.196
 ROA3   Fr= 1--    -358.540                  5.781               -105.671
 CID3   Fr= 1--     -12.539                  2.180                 -5.807
 RC180  Fr= 1--       0.259                  0.584                  0.098
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     2   6     0.03  -0.06  -0.01    -0.01  -0.00   0.01    -0.01   0.01   0.00
     3   6    -0.13   0.06   0.07     0.00   0.00  -0.01    -0.01   0.01   0.00
     4   6     0.12  -0.11  -0.07    -0.00   0.00   0.00     0.04   0.00  -0.01
     5   6    -0.02   0.03   0.02    -0.01  -0.00   0.00    -0.13  -0.06   0.03
     6   6    -0.08  -0.00   0.02     0.00   0.00  -0.00    -0.01   0.00   0.01
     7   6     0.00   0.03  -0.00     0.00  -0.00  -0.01     0.02  -0.01  -0.01
     8   6    -0.02   0.00  -0.02     0.03   0.00  -0.05     0.01  -0.00   0.01
     9   1     0.30   0.24   0.03     0.03  -0.01   0.04     0.00  -0.01   0.00
    10   1    -0.13   0.23   0.04     0.03  -0.03   0.04     0.01  -0.01   0.00
    11   1     0.06  -0.15   0.05     0.02   0.02  -0.02     0.43   0.20  -0.35
    12   1    -0.08  -0.04   0.02     0.02   0.02  -0.00     0.35   0.38  -0.02
    13   1    -0.01  -0.10  -0.13     0.03   0.01   0.01     0.58   0.08   0.09
    14   1     0.01   0.05  -0.00     0.00  -0.01  -0.00    -0.06  -0.01   0.02
    15   1    -0.03   0.07   0.04    -0.03   0.01   0.01    -0.06  -0.01   0.01
    16   6     0.01  -0.00   0.00    -0.02  -0.01   0.09    -0.00   0.00  -0.00
    17   6    -0.00   0.00   0.01    -0.12   0.02   0.03     0.01  -0.00  -0.00
    18   1     0.01   0.01   0.00    -0.07   0.08  -0.31     0.00   0.01   0.01
    19   1    -0.03   0.02   0.01     0.15   0.14  -0.25     0.00  -0.01   0.01
    20   1    -0.02  -0.01   0.00     0.10  -0.09  -0.30     0.02   0.01   0.00
    21   1     0.03   0.01   0.01     0.42  -0.12   0.11    -0.03   0.01  -0.01
    22   1     0.01  -0.00  -0.02     0.43   0.09  -0.17    -0.03  -0.01   0.02
    23   1     0.05  -0.00  -0.04     0.36  -0.19  -0.23    -0.03   0.01   0.02
    24   1     0.25  -0.08  -0.15     0.01   0.00   0.00    -0.00  -0.03  -0.03
    25   1     0.30  -0.08  -0.07    -0.03  -0.00   0.01     0.01  -0.04   0.01
    26   1     0.38   0.54   0.03    -0.01  -0.02   0.00    -0.02  -0.00   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1425.2300              1457.9565              1475.1998
 Red. masses --      1.3331                 1.9922                 1.0821
 Frc consts  --      1.5955                 2.4950                 1.3874
 IR Inten    --      1.9052                 0.1254                 3.7206
 RamAct Fr= 1--      4.0341                12.9092                 3.5756
  Dep-P Fr= 1--      0.1373                 0.1523                 0.5940
  Dep-U Fr= 1--      0.2415                 0.2643                 0.7453
 Alpha2 Fr= 1--      0.0644                 0.1984                 0.0104
 Beta2  Fr= 1--      0.1624                 0.5686                 0.4442
 AlphaG Fr= 1--      0.0100                -0.0118                 0.0160
 Gamma2 Fr= 1--     -0.1222                 1.1101                -1.8319
 Delta2 Fr= 1--     -0.0519                 0.3567                -1.2826
 Raman1 Fr= 1--      16.137                 51.637                 14.302
 ROA1   Fr= 1--     -13.392                117.982               -216.903
 CID1   Fr= 1--      -0.830                  2.285                -15.166
 Raman2 Fr= 1--       1.949                  6.823                  5.330
 ROA2   Fr= 1--      -2.517                 23.788                -33.704
 CID2   Fr= 1--      -1.292                  3.486                 -6.324
 Raman3 Fr= 1--       3.897                 13.647                 10.660
 ROA3   Fr= 1--     -13.392                117.982               -216.903
 CID3   Fr= 1--      -3.436                  8.646                -20.348
 RC180  Fr= 1--      -0.517                 -0.471                  0.491
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.02    -0.11  -0.10  -0.06    -0.00  -0.01  -0.01
     2   6    -0.01   0.04  -0.00    -0.06   0.16  -0.01    -0.01   0.01   0.00
     3   6     0.00   0.01   0.00     0.00   0.05   0.03    -0.03  -0.06  -0.01
     4   6     0.00   0.01   0.00     0.01   0.00   0.00     0.01   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01   0.01   0.00
     6   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00  -0.01  -0.00
     7   6     0.00  -0.01  -0.00    -0.02  -0.05   0.01    -0.00  -0.02  -0.00
     8   6     0.03  -0.02   0.04     0.12  -0.04   0.07     0.01  -0.00   0.01
     9   1     0.02   0.03  -0.02     0.38   0.15   0.06     0.01   0.00  -0.01
    10   1     0.01  -0.03  -0.03     0.28  -0.30  -0.03     0.02  -0.04  -0.01
    11   1     0.00   0.01  -0.01    -0.02  -0.00   0.01     0.07  -0.14   0.02
    12   1     0.00   0.01  -0.00    -0.03  -0.05   0.03     0.09   0.08   0.03
    13   1     0.01   0.00   0.00    -0.05   0.02   0.03    -0.02  -0.08  -0.09
    14   1     0.02  -0.01  -0.01     0.09   0.12  -0.11    -0.00   0.15  -0.08
    15   1     0.03  -0.02  -0.02     0.24   0.03   0.04     0.06   0.10   0.11
    16   6     0.01   0.02  -0.12    -0.05   0.01   0.02    -0.01  -0.01   0.00
    17   6    -0.09   0.02   0.00    -0.00   0.00  -0.03     0.00   0.01  -0.00
    18   1     0.08  -0.10   0.42    -0.07   0.06  -0.22     0.02   0.17  -0.03
    19   1    -0.14  -0.27   0.35     0.26  -0.15  -0.10    -0.04  -0.03   0.05
    20   1    -0.05   0.15   0.43     0.31   0.06  -0.06     0.17   0.02  -0.04
    21   1     0.32  -0.08   0.07    -0.14   0.04  -0.04    -0.03  -0.07  -0.02
    22   1     0.32   0.11  -0.03    -0.09   0.02   0.16     0.02   0.00  -0.02
    23   1     0.25  -0.21  -0.09    -0.10  -0.04   0.14    -0.04  -0.02   0.07
    24   1     0.02   0.00  -0.01     0.04  -0.11  -0.18     0.28   0.34   0.45
    25   1     0.04   0.01  -0.02     0.21  -0.15   0.01     0.06   0.57  -0.28
    26   1    -0.01  -0.01  -0.00    -0.02  -0.04  -0.01     0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1479.7610              1480.4570              1487.1854
 Red. masses --      1.0494                 1.0857                 1.0477
 Frc consts  --      1.3538                 1.4020                 1.3653
 IR Inten    --      7.4788                 3.3042                 2.7205
 RamAct Fr= 1--      8.4357                26.5585                10.2373
  Dep-P Fr= 1--      0.5567                 0.5304                 0.7031
  Dep-U Fr= 1--      0.7152                 0.6931                 0.8257
 Alpha2 Fr= 1--      0.0310                 0.1129                 0.0083
 Beta2  Fr= 1--      1.0056                 3.0680                 1.4088
 AlphaG Fr= 1--      0.0431                -0.1153                 0.0445
 Gamma2 Fr= 1--      0.7587                 4.4634                -4.9411
 Delta2 Fr= 1--      2.8351                 1.7897                -3.5716
 Raman1 Fr= 1--      33.743                106.234                 40.949
 ROA1   Fr= 1--     163.563                485.754               -588.638
 CID1   Fr= 1--       4.847                  4.572                -14.375
 Raman2 Fr= 1--      12.067                 36.816                 16.906
 ROA2   Fr= 1--      -4.471                 92.804                -90.014
 CID2   Fr= 1--      -0.371                  2.521                 -5.324
 Raman3 Fr= 1--      24.134                 73.632                 33.811
 ROA3   Fr= 1--     163.563                485.754               -588.638
 CID3   Fr= 1--       6.777                  6.597                -17.409
 RC180  Fr= 1--       0.430                  0.386                  0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.01   0.02   0.01     0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.02   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.01   0.00     0.01   0.01   0.00     0.00  -0.01  -0.00
     4   6    -0.00   0.01  -0.02    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
     5   6    -0.02   0.01  -0.05    -0.00   0.01  -0.02    -0.01   0.01   0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
     7   6    -0.00   0.03   0.01     0.00  -0.06  -0.02    -0.00  -0.02  -0.00
     8   6    -0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.00  -0.01  -0.00
     9   1    -0.00   0.01  -0.00    -0.03  -0.03   0.01    -0.02  -0.01   0.00
    10   1    -0.00   0.00  -0.01    -0.01   0.01   0.02     0.01  -0.01   0.00
    11   1     0.38  -0.19  -0.14     0.16  -0.07  -0.06     0.02  -0.09   0.03
    12   1     0.20  -0.17   0.61     0.07  -0.07   0.24     0.05   0.06  -0.02
    13   1    -0.36   0.20   0.23    -0.13   0.08   0.10     0.00  -0.07  -0.09
    14   1     0.03  -0.21   0.10    -0.08   0.53  -0.25    -0.01   0.14  -0.07
    15   1    -0.06  -0.14  -0.17     0.13   0.37   0.45     0.05   0.09   0.11
    16   6    -0.00   0.01   0.00     0.01  -0.01  -0.01     0.01   0.02   0.00
    17   6    -0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.01  -0.05  -0.01
    18   1    -0.02  -0.06  -0.04     0.05   0.08   0.12    -0.06  -0.28  -0.04
    19   1     0.07  -0.03  -0.02    -0.15   0.09   0.04     0.15  -0.03  -0.09
    20   1    -0.02   0.01   0.03    -0.04  -0.03  -0.06    -0.19  -0.01   0.07
    21   1     0.01   0.05   0.01     0.01  -0.09  -0.01     0.13   0.60   0.12
    22   1    -0.02   0.00   0.04     0.03  -0.01  -0.09    -0.19   0.02   0.38
    23   1     0.02   0.00  -0.03    -0.02   0.01   0.02     0.22   0.07  -0.36
    24   1     0.05   0.01   0.01    -0.09  -0.09  -0.12     0.02   0.04   0.06
    25   1    -0.02   0.05  -0.01    -0.06  -0.14   0.09    -0.01   0.07  -0.03
    26   1     0.02   0.01   0.01    -0.03  -0.03   0.00    -0.02  -0.02  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1493.1326              1493.9769              1509.6957
 Red. masses --      1.0620                 1.0549                 1.0475
 Frc consts  --      1.3951                 1.3873                 1.4067
 IR Inten    --     11.8236                 4.9314                 1.6255
 RamAct Fr= 1--     13.4573                 0.6939                 1.2638
  Dep-P Fr= 1--      0.5394                 0.6941                 0.7225
  Dep-U Fr= 1--      0.7008                 0.8194                 0.8389
 Alpha2 Fr= 1--      0.0545                 0.0007                 0.0006
 Beta2  Fr= 1--      1.5718                 0.0948                 0.1767
 AlphaG Fr= 1--      0.0167                -0.0001                -0.0039
 Gamma2 Fr= 1--      1.1125                 0.3520                 0.6749
 Delta2 Fr= 1--      1.1819                 0.0197                 0.3308
 Raman1 Fr= 1--      53.829                  2.776                  5.055
 ROA1   Fr= 1--     144.620                 34.421                 75.374
 CID1   Fr= 1--       2.687                 12.401                 14.911
 Raman2 Fr= 1--      18.862                  1.137                  2.120
 ROA2   Fr= 1--      17.245                  8.291                 13.550
 CID2   Fr= 1--       0.914                  7.290                  6.390
 Raman3 Fr= 1--      37.724                  2.274                  4.241
 ROA3   Fr= 1--     144.620                 34.421                 75.374
 CID3   Fr= 1--       3.834                 15.134                 17.774
 RC180  Fr= 1--       0.402                  0.639                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.01   0.01   0.00     0.01   0.01   0.00
     2   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     3   6    -0.02  -0.01   0.00     0.00  -0.00   0.00     0.01   0.01   0.00
     4   6     0.02  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.03  -0.04  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.03  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
     8   6    -0.00  -0.00  -0.00    -0.02   0.00   0.02    -0.01  -0.03  -0.01
     9   1     0.01   0.01  -0.00    -0.05  -0.01  -0.02    -0.02  -0.01   0.00
    10   1    -0.01   0.01   0.00    -0.04   0.04  -0.01     0.01  -0.01  -0.00
    11   1    -0.14   0.56  -0.18    -0.02   0.06  -0.02     0.01  -0.06   0.02
    12   1    -0.28  -0.30  -0.00    -0.03  -0.03  -0.01     0.03   0.02   0.01
    13   1     0.09   0.38   0.44     0.01   0.04   0.05    -0.03  -0.03  -0.03
    14   1     0.02   0.05  -0.03    -0.02   0.04  -0.01     0.00  -0.09   0.05
    15   1     0.04   0.04   0.03     0.01   0.03   0.03    -0.03  -0.06  -0.07
    16   6     0.00  -0.00   0.00    -0.03   0.01  -0.01    -0.01  -0.04  -0.01
    17   6    -0.00  -0.01  -0.01     0.01  -0.01   0.04    -0.00  -0.02  -0.00
    18   1     0.01   0.04   0.03    -0.05   0.06  -0.23     0.13   0.60   0.11
    19   1    -0.04   0.03   0.00     0.20  -0.31   0.12    -0.35   0.07   0.22
    20   1    -0.00  -0.01  -0.04     0.30   0.13   0.20     0.39   0.01  -0.19
    21   1    -0.01   0.13   0.01     0.30  -0.05   0.08     0.05   0.29   0.06
    22   1    -0.01   0.02   0.12    -0.26  -0.18  -0.39    -0.10   0.01   0.20
    23   1     0.06  -0.03  -0.04    -0.11   0.40  -0.31     0.13   0.01  -0.17
    24   1     0.08   0.08   0.10    -0.02  -0.01  -0.01    -0.04  -0.06  -0.08
    25   1     0.03   0.13  -0.07    -0.01  -0.01   0.01    -0.01  -0.09   0.05
    26   1     0.09   0.10  -0.00     0.01   0.01  -0.00    -0.01  -0.02   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1515.6523              1745.6560              2981.6987
 Red. masses --      1.1888                 6.6028                 1.0696
 Frc consts  --      1.6090                11.8549                 5.6027
 IR Inten    --      1.7812                 1.3205                33.3609
 RamAct Fr= 1--      6.0830                59.7980               113.4067
  Dep-P Fr= 1--      0.7435                 0.1326                 0.1710
  Dep-U Fr= 1--      0.8529                 0.2342                 0.2920
 Alpha2 Fr= 1--      0.0007                 0.9657                 1.6615
 Beta2  Fr= 1--      0.8647                 2.3344                 5.5196
 AlphaG Fr= 1--      0.0010                -0.0761                 0.4236
 Gamma2 Fr= 1--      0.0276                -0.3612                -1.3723
 Delta2 Fr= 1--      0.1839                -0.3306                -2.6085
 Raman1 Fr= 1--      24.332                239.192                453.627
 ROA1   Fr= 1--       8.532                -45.255               -215.214
 CID1   Fr= 1--       0.351                 -0.189                 -0.474
 Raman2 Fr= 1--      10.376                 28.013                 66.236
 ROA2   Fr= 1--      -0.810                 -6.025                -12.067
 CID2   Fr= 1--      -0.078                 -0.215                 -0.182
 Raman3 Fr= 1--      20.753                 56.026                132.471
 ROA3   Fr= 1--       8.532                -45.255               -215.214
 CID3   Fr= 1--       0.411                 -0.808                 -1.625
 RC180  Fr= 1--       0.706                 -0.532                 -0.416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.02     0.01   0.02   0.01    -0.00  -0.00   0.00
     2   6    -0.02   0.05  -0.01    -0.00  -0.02  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.01  -0.04  -0.01    -0.00  -0.07   0.03
     4   6     0.00   0.01   0.00     0.13   0.49   0.09     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.03  -0.04  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01  -0.00    -0.17  -0.45  -0.06     0.00   0.00   0.00
     7   6    -0.00   0.00   0.00     0.02   0.05   0.01     0.00   0.00   0.00
     8   6     0.06  -0.03   0.07    -0.01   0.00  -0.00    -0.00   0.00   0.00
     9   1     0.06   0.02  -0.00    -0.06  -0.04  -0.00     0.01  -0.01  -0.01
    10   1     0.05  -0.04  -0.01    -0.04   0.06   0.02     0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.10  -0.15   0.10    -0.02  -0.02  -0.04
    12   1     0.00   0.00  -0.00     0.14   0.13  -0.01    -0.02   0.02   0.01
    13   1    -0.00  -0.00  -0.00    -0.15  -0.10  -0.08     0.01  -0.06   0.05
    14   1     0.03  -0.07   0.02     0.16   0.12  -0.10    -0.02  -0.02  -0.05
    15   1     0.02  -0.06  -0.07     0.19   0.09   0.03     0.00  -0.00   0.01
    16   6     0.03  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   6    -0.01  -0.00   0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.07  -0.06   0.34     0.00   0.01  -0.03    -0.01   0.00   0.00
    19   1    -0.26   0.38  -0.15     0.01  -0.01  -0.00     0.01   0.01   0.01
    20   1    -0.34  -0.16  -0.28     0.02   0.00  -0.00     0.01  -0.03   0.01
    21   1     0.26  -0.06   0.06     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.23  -0.13  -0.29    -0.00  -0.00  -0.00     0.00  -0.01   0.00
    23   1    -0.12   0.31  -0.21    -0.00   0.00  -0.00     0.01   0.01   0.01
    24   1     0.05   0.03   0.03     0.10  -0.13  -0.17    -0.07   0.76  -0.59
    25   1     0.05   0.06  -0.04     0.14  -0.17  -0.01     0.09   0.06   0.20
    26   1     0.00  -0.00  -0.00     0.38   0.13  -0.09    -0.01   0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2985.7488              3009.4964              3012.4267
 Red. masses --      1.0708                 1.0586                 1.0731
 Frc consts  --      5.6242                 5.6490                 5.7377
 IR Inten    --     45.6335                20.4863                50.1091
 RamAct Fr= 1--    154.0584               109.7411               258.6830
  Dep-P Fr= 1--      0.1850                 0.2115                 0.0560
  Dep-U Fr= 1--      0.3122                 0.3491                 0.1061
 Alpha2 Fr= 1--      2.1767                 1.4455                 5.0373
 Beta2  Fr= 1--      8.0155                 6.3851                 4.5724
 AlphaG Fr= 1--     -0.7016                -0.3432                 0.0846
 Gamma2 Fr= 1--      2.4651               -24.3084                30.5540
 Delta2 Fr= 1--      1.8235               -13.7910                12.7677
 Raman1 Fr= 1--     616.234                438.964               1034.732
 ROA1   Fr= 1--     295.006              -2774.919               3341.750
 CID1   Fr= 1--       0.479                 -6.322                  3.230
 Raman2 Fr= 1--      96.187                 76.621                 54.869
 ROA2   Fr= 1--      44.576               -473.074                631.154
 CID2   Fr= 1--       0.463                 -6.174                 11.503
 Raman3 Fr= 1--     192.373                153.242                109.737
 ROA3   Fr= 1--     295.006              -2774.919               3341.750
 CID3   Fr= 1--       1.534                -18.108                 30.452
 RC180  Fr= 1--      -0.376                 -0.302                 -0.788
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.02  -0.00  -0.05    -0.02  -0.01  -0.05
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.00   0.00  -0.00     0.03   0.03  -0.00    -0.02  -0.02   0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.02  -0.05  -0.06     0.00  -0.00   0.00    -0.01   0.03  -0.03
     8   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     9   1     0.00  -0.00   0.00     0.02  -0.01  -0.03     0.02  -0.02  -0.04
    10   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.02   0.02  -0.02
    11   1    -0.00  -0.00  -0.00    -0.21  -0.18  -0.44     0.13   0.11   0.26
    12   1    -0.00   0.00   0.00    -0.17   0.20   0.11     0.11  -0.14  -0.07
    13   1     0.00  -0.00   0.00     0.05  -0.38   0.34    -0.03   0.27  -0.24
    14   1     0.32   0.39   0.83    -0.00  -0.00  -0.01     0.03   0.05   0.08
    15   1    -0.04   0.14  -0.15    -0.00   0.01  -0.01     0.07  -0.39   0.33
    16   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    18   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.01  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.01   0.01  -0.05
    22   1    -0.00   0.01  -0.00    -0.00   0.02  -0.00     0.02  -0.07   0.02
    23   1    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01     0.04   0.05   0.04
    24   1    -0.00   0.04  -0.03     0.01  -0.17   0.11     0.00  -0.08   0.05
    25   1     0.01   0.01   0.02     0.22   0.20   0.49     0.25   0.23   0.56
    26   1     0.02  -0.02  -0.01     0.00  -0.00  -0.00    -0.02   0.02   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3012.8856              3013.2011              3022.9358
 Red. masses --      1.0820                 1.0364                 1.0401
 Frc consts  --      5.7868                 5.5439                 5.6000
 IR Inten    --     39.2365                31.6122                55.7352
 RamAct Fr= 1--    123.6391               171.4053               326.6918
  Dep-P Fr= 1--      0.7452                 0.0261                 0.0313
  Dep-U Fr= 1--      0.8540                 0.0508                 0.0606
 Alpha2 Fr= 1--      0.0101                 3.5833                 6.7465
 Beta2  Fr= 1--     17.5980                 1.4512                 3.3000
 AlphaG Fr= 1--      0.0522                 0.2111                -0.4465
 Gamma2 Fr= 1--    -14.4944                 2.3306                 2.6507
 Delta2 Fr= 1--     -0.5676                -0.5992                -1.6061
 Raman1 Fr= 1--     494.556                685.621               1306.767
 ROA1   Fr= 1--   -1409.627                204.563                203.070
 CID1   Fr= 1--      -2.850                  0.298                  0.155
 Raman2 Fr= 1--     211.176                 17.415                 39.600
 ROA2   Fr= 1--    -343.325                 60.728                 76.465
 CID2   Fr= 1--      -1.626                  3.487                  1.931
 Raman3 Fr= 1--     422.352                 34.829                 79.200
 ROA3   Fr= 1--   -1409.627                204.563                203.070
 CID3   Fr= 1--      -3.338                  5.873                  2.564
 RC180  Fr= 1--       0.708                 -0.898                 -0.879
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.01  -0.01  -0.03    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.02  -0.05   0.05     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.01  -0.01  -0.02     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    10   1    -0.03  -0.03   0.04     0.01   0.00  -0.01     0.01   0.00  -0.01
    11   1     0.08   0.07   0.17     0.03   0.02   0.05     0.01   0.01   0.02
    12   1     0.08  -0.09  -0.05     0.02  -0.03  -0.01     0.01  -0.01  -0.00
    13   1    -0.02   0.18  -0.16    -0.01   0.05  -0.05    -0.00   0.02  -0.01
    14   1    -0.05  -0.09  -0.13    -0.00  -0.00  -0.01    -0.01  -0.01  -0.03
    15   1    -0.12   0.62  -0.52    -0.00   0.00  -0.00     0.00  -0.01   0.01
    16   6     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.01   0.05
    17   6    -0.00   0.00  -0.00     0.05  -0.01   0.00     0.01  -0.00  -0.00
    18   1     0.00  -0.00  -0.00    -0.08   0.02   0.01     0.29  -0.06  -0.04
    19   1    -0.00  -0.00  -0.00     0.09   0.11   0.10    -0.34  -0.40  -0.37
    20   1    -0.00   0.01  -0.00     0.04  -0.17   0.04    -0.13   0.62  -0.17
    21   1     0.01   0.01  -0.03    -0.08  -0.07   0.41    -0.03  -0.02   0.12
    22   1     0.01  -0.05   0.01    -0.13   0.57  -0.14    -0.04   0.15  -0.04
    23   1     0.03   0.03   0.03    -0.34  -0.37  -0.33    -0.09  -0.10  -0.09
    24   1     0.00  -0.05   0.03    -0.00  -0.00  -0.00    -0.00   0.03  -0.02
    25   1     0.15   0.14   0.34     0.04   0.03   0.08     0.01   0.01   0.02
    26   1     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3048.6008              3063.1122              3066.4866
 Red. masses --      1.0990                 1.1013                 1.1004
 Frc consts  --      6.0181                 6.0881                 6.0965
 IR Inten    --     24.4214                 2.9524                54.7111
 RamAct Fr= 1--    107.1237                19.9184               163.6612
  Dep-P Fr= 1--      0.7401                 0.7500                 0.7492
  Dep-U Fr= 1--      0.8507                 0.8571                 0.8566
 Alpha2 Fr= 1--      0.0180                 0.0000                 0.0022
 Beta2  Fr= 1--     15.1879                 2.8454                23.3658
 AlphaG Fr= 1--      0.1723                 0.0007                 0.0399
 Gamma2 Fr= 1--      2.8457                 0.3422                 0.3406
 Delta2 Fr= 1--      5.4385                -0.0006                 3.0057
 Raman1 Fr= 1--     428.495                 79.674                654.645
 ROA1   Fr= 1--     447.225                 32.832                128.884
 CID1   Fr= 1--       1.044                  0.412                  0.197
 Raman2 Fr= 1--     182.254                 34.145                280.390
 ROA2   Fr= 1--      24.790                  8.217                -15.870
 CID2   Fr= 1--       0.136                  0.241                 -0.057
 Raman3 Fr= 1--     364.509                 68.290                560.780
 ROA3   Fr= 1--     447.225                 32.832                128.884
 CID3   Fr= 1--       1.227                  0.481                  0.230
 RC180  Fr= 1--       0.701                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.03   0.02  -0.08    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   1     0.30   0.28   0.59     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.00  -0.01  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   1     0.05  -0.53   0.44     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.01
    15   1    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6     0.00  -0.00  -0.00     0.01   0.05   0.01    -0.02  -0.07  -0.01
    17   6    -0.00   0.00   0.00    -0.02  -0.07  -0.01    -0.01  -0.05  -0.01
    18   1    -0.00   0.00   0.00     0.00   0.01   0.00    -0.01  -0.02  -0.00
    19   1     0.00   0.00   0.00    -0.22  -0.24  -0.24     0.32   0.35   0.34
    20   1    -0.00   0.01  -0.00     0.09  -0.37   0.11    -0.12   0.54  -0.16
    21   1     0.00   0.00  -0.00    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
    22   1     0.00  -0.00   0.00    -0.14   0.54  -0.14    -0.10   0.38  -0.10
    23   1    -0.00  -0.00  -0.00     0.34   0.35   0.32     0.23   0.24   0.22
    24   1     0.00  -0.02   0.01     0.00  -0.01   0.00     0.00   0.01  -0.00
    25   1     0.01   0.01   0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3086.8091              3102.0605              3123.8813
 Red. masses --      1.1002                 1.0985                 1.0953
 Frc consts  --      6.1762                 6.2278                 6.2978
 IR Inten    --     27.3454                20.2287                 8.9841
 RamAct Fr= 1--     58.9488                63.4763                47.2984
  Dep-P Fr= 1--      0.7454                 0.7058                 0.5307
  Dep-U Fr= 1--      0.8541                 0.8275                 0.6934
 Alpha2 Fr= 1--      0.0046                 0.0488                 0.2008
 Beta2  Fr= 1--      8.3914                 8.7546                 5.4659
 AlphaG Fr= 1--      0.0051                -0.0808                -0.2631
 Gamma2 Fr= 1--      0.8205                -2.0943                -4.6148
 Delta2 Fr= 1--     -0.3862                -1.7411                -0.3139
 Raman1 Fr= 1--     235.795                253.905                189.194
 ROA1   Fr= 1--      66.409               -256.771               -453.062
 CID1   Fr= 1--       0.282                 -1.011                 -2.395
 Raman2 Fr= 1--     100.697                105.055                 65.590
 ROA2   Fr= 1--      22.781                -36.335               -108.244
 CID2   Fr= 1--       0.226                 -0.346                 -1.650
 Raman3 Fr= 1--     201.394                210.110                131.180
 ROA3   Fr= 1--      66.409               -256.771               -453.062
 CID3   Fr= 1--       0.330                 -1.222                 -3.454
 RC180  Fr= 1--       0.708                  0.655                  0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.04  -0.07  -0.03    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.01   0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.02  -0.02  -0.04     0.00   0.00   0.00    -0.01   0.01   0.02
    10   1     0.03   0.02  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.01
    11   1    -0.00  -0.00  -0.00     0.12   0.08   0.21     0.00   0.00   0.00
    12   1     0.00  -0.00  -0.00    -0.57   0.64   0.36     0.00  -0.00  -0.00
    13   1     0.00  -0.00   0.00    -0.01   0.17  -0.17     0.00  -0.00   0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.09   0.02   0.00
    17   6    -0.00   0.02  -0.09    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.92  -0.17  -0.16
    19   1     0.00   0.01   0.01     0.00   0.00   0.00     0.10   0.14   0.12
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.03  -0.20   0.06
    21   1    -0.19  -0.13   0.86    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    22   1     0.07  -0.29   0.05    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23   1     0.18   0.20   0.15     0.00   0.00   0.00     0.00   0.00   0.00
    24   1     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00   0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.07  -0.05  -0.04    -0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3128.9838              3131.2260              3139.7834
 Red. masses --      1.0874                 1.0884                 1.0892
 Frc consts  --      6.2727                 6.2876                 6.3263
 IR Inten    --     13.6069                39.7202                34.6221
 RamAct Fr= 1--     81.2130               134.0703               216.7505
  Dep-P Fr= 1--      0.7264                 0.2906                 0.0892
  Dep-U Fr= 1--      0.8415                 0.4504                 0.1638
 Alpha2 Fr= 1--      0.0329                 1.4139                 3.8964
 Beta2  Fr= 1--     11.3901                10.0636                 5.9158
 AlphaG Fr= 1--     -0.0436                -0.0455                -0.0878
 Gamma2 Fr= 1--     -2.2878                -3.0056                -0.0219
 Delta2 Fr= 1--      0.1484                -0.8356                 0.5503
 Raman1 Fr= 1--     324.852                536.281                867.002
 ROA1   Fr= 1--    -214.878               -315.277                 15.512
 CID1   Fr= 1--      -0.661                 -0.588                  0.018
 Raman2 Fr= 1--     136.681                120.764                 70.990
 ROA2   Fr= 1--     -56.094                -65.449                 -4.927
 CID2   Fr= 1--      -0.410                 -0.542                 -0.069
 Raman3 Fr= 1--     273.363                241.527                141.980
 ROA3   Fr= 1--    -214.878               -315.277                 15.512
 CID3   Fr= 1--      -0.786                 -1.305                  0.109
 RC180  Fr= 1--       0.683                 -0.099                 -0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.05    -0.00   0.00   0.01     0.02  -0.02  -0.05
     2   6    -0.04  -0.02   0.04     0.00  -0.00   0.00     0.04   0.03  -0.04
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.06   0.05   0.03    -0.01   0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.31   0.27   0.60     0.05  -0.05  -0.10    -0.28   0.25   0.55
    10   1     0.40   0.30  -0.44     0.01   0.01  -0.01    -0.44  -0.33   0.48
    11   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
    12   1     0.01  -0.01  -0.00     0.06  -0.06  -0.04     0.01  -0.01  -0.00
    13   1     0.00  -0.00   0.00     0.00  -0.01   0.01     0.00   0.00  -0.00
    14   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00
    15   1    -0.01   0.03  -0.03     0.00  -0.02   0.02     0.01  -0.04   0.03
    16   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    18   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.02   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    20   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    21   1    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.02  -0.01   0.07
    22   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    24   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.00   0.00  -0.00
    25   1     0.02   0.02   0.04    -0.00   0.00   0.00     0.02   0.02   0.04
    26   1     0.06  -0.05  -0.03     0.69  -0.58  -0.39     0.07  -0.05  -0.04

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   729.946551882.076572052.97649
           X            0.99998   0.00587  -0.00278
           Y           -0.00585   0.99997   0.00509
           Z            0.00281  -0.00508   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11866     0.04602     0.04219
 Rotational constants (GHZ):           2.47243     0.95891     0.87909
 Zero-point vibrational energy     616314.3 (Joules/Mol)
                                  147.30266 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.99   228.09   259.90   271.90   296.33
          (Kelvin)            339.93   362.05   389.54   488.01   506.03
                              587.84   619.33   669.46   733.39   835.10
                              987.74  1042.17  1111.25  1159.04  1202.58
                             1320.48  1348.80  1371.81  1384.64  1403.45
                             1433.35  1463.24  1488.69  1519.99  1546.12
                             1585.51  1621.46  1680.12  1690.95  1699.26
                             1767.36  1796.34  1809.99  1914.33  1930.97
                             1967.19  1989.42  2014.70  2031.05  2037.06
                             2050.59  2097.67  2122.48  2129.05  2130.05
                             2139.73  2148.28  2149.50  2172.12  2180.69
                             2511.61  4290.00  4295.83  4329.99  4334.21
                             4334.87  4335.32  4349.33  4386.26  4407.14
                             4411.99  4441.23  4463.17  4494.57  4501.91
                             4505.14  4517.45
 
 Zero-point correction=                           0.234742 (Hartree/Particle)
 Thermal correction to Energy=                    0.245197
 Thermal correction to Enthalpy=                  0.246141
 Thermal correction to Gibbs Free Energy=         0.199977
 Sum of electronic and zero-point Energies=           -390.621104
 Sum of electronic and thermal Energies=              -390.610648
 Sum of electronic and thermal Enthalpies=            -390.609704
 Sum of electronic and thermal Free Energies=         -390.655869
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.863             41.122             97.161
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.424
 Vibrational            152.086             35.161             27.100
 Vibration     1          0.600              1.963              3.893
 Vibration     2          0.621              1.893              2.567
 Vibration     3          0.630              1.866              2.322
 Vibration     4          0.633              1.855              2.238
 Vibration     5          0.640              1.831              2.079
 Vibration     6          0.655              1.785              1.831
 Vibration     7          0.664              1.760              1.719
 Vibration     8          0.674              1.727              1.591
 Vibration     9          0.719              1.597              1.216
 Vibration    10          0.728              1.572              1.159
 Vibration    11          0.773              1.452              0.932
 Vibration    12          0.792              1.404              0.857
 Vibration    13          0.823              1.327              0.751
 Vibration    14          0.865              1.228              0.634
 Vibration    15          0.937              1.074              0.485
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.104030D-91        -91.982843       -211.798323
 Total V=0       0.978961D+16         15.990765         36.820098
 Vib (Bot)       0.277200-105       -105.557207       -243.054450
 Vib (Bot)    1  0.257678D+01          0.411078          0.946541
 Vib (Bot)    2  0.127580D+01          0.105783          0.243573
 Vib (Bot)    3  0.111162D+01          0.045956          0.105818
 Vib (Bot)    4  0.105944D+01          0.025077          0.057741
 Vib (Bot)    5  0.965881D+00         -0.015076         -0.034715
 Vib (Bot)    6  0.831318D+00         -0.080233         -0.184743
 Vib (Bot)    7  0.775000D+00         -0.110698         -0.254892
 Vib (Bot)    8  0.713537D+00         -0.146584         -0.337521
 Vib (Bot)    9  0.547723D+00         -0.261439         -0.601986
 Vib (Bot)   10  0.523995D+00         -0.280673         -0.646274
 Vib (Bot)   11  0.433492D+00         -0.363019         -0.835882
 Vib (Bot)   12  0.404629D+00         -0.392942         -0.904784
 Vib (Bot)   13  0.363940D+00         -0.438970         -1.010765
 Vib (Bot)   14  0.319632D+00         -0.495350         -1.140585
 Vib (Bot)   15  0.262422D+00         -0.581000         -1.337801
 Vib (V=0)       0.260857D+03          2.416402          5.563971
 Vib (V=0)    1  0.312484D+01          0.494828          1.139384
 Vib (V=0)    2  0.187028D+01          0.271906          0.626088
 Vib (V=0)    3  0.171889D+01          0.235249          0.541680
 Vib (V=0)    4  0.167150D+01          0.223107          0.513722
 Vib (V=0)    5  0.158762D+01          0.200748          0.462238
 Vib (V=0)    6  0.147010D+01          0.167346          0.385329
 Vib (V=0)    7  0.142229D+01          0.152989          0.352271
 Vib (V=0)    8  0.137128D+01          0.137127          0.315747
 Vib (V=0)    9  0.124162D+01          0.093989          0.216417
 Vib (V=0)   10  0.122427D+01          0.087878          0.202347
 Vib (V=0)   11  0.116175D+01          0.065113          0.149929
 Vib (V=0)   12  0.114321D+01          0.058128          0.133844
 Vib (V=0)   13  0.111843D+01          0.048608          0.111924
 Vib (V=0)   14  0.109343D+01          0.038793          0.089324
 Vib (V=0)   15  0.106468D+01          0.027220          0.062676
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.601176D+06          5.779002         13.306643
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000030910   -0.000011240   -0.000011087
      2        6           0.000026123    0.000031548   -0.000007283
      3        6          -0.000043802   -0.000016513   -0.000008809
      4        6           0.000030745   -0.000002616   -0.000002870
      5        6          -0.000005679    0.000005282    0.000006595
      6        6           0.000039985   -0.000031202   -0.000006235
      7        6          -0.000057269    0.000009743    0.000024479
      8        6          -0.000030251   -0.000021457    0.000021218
      9        1           0.000000907   -0.000003845    0.000009464
     10        1          -0.000001767    0.000002662   -0.000000311
     11        1           0.000000926    0.000001602    0.000000177
     12        1           0.000003583    0.000004872    0.000000274
     13        1          -0.000003488    0.000000214    0.000001724
     14        1          -0.000004426    0.000008444    0.000000925
     15        1           0.000002650    0.000002313    0.000002318
     16        6          -0.000010561    0.000000625    0.000010479
     17        6           0.000002051    0.000001205   -0.000006925
     18        1           0.000008182    0.000007271   -0.000030342
     19        1           0.000000360   -0.000002609   -0.000000112
     20        1          -0.000000253    0.000004364   -0.000002198
     21        1          -0.000003137    0.000003685   -0.000004991
     22        1           0.000016345   -0.000002182    0.000003126
     23        1           0.000003026    0.000001053   -0.000001470
     24        1          -0.000003852    0.000000975    0.000001566
     25        1          -0.000004044    0.000005061    0.000001567
     26        1           0.000002733    0.000000746   -0.000001279
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000057269 RMS     0.000014641
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.133056D+03  0.405871D+01  0.695063D+00
      2   0.405871D+01  0.122221D+03  0.238562D+01
      3   0.695063D+00  0.238562D+01  0.103254D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.833235D+00  0.287188D+00  0.297648D+01
      2   0.844299D+01 -0.776635D+01  0.103269D+02
      3   0.178419D+02  0.273017D+02  0.658037D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.188630D+02 -0.490375D+02  0.826973D+01
      2  -0.158737D+00  0.478863D+02 -0.119779D+02
      3   0.190218D+02  0.115119D+01  0.370818D+01
      4  -0.433964D+02 -0.476349D+02 -0.220308D+02
      5   0.219564D+02 -0.199656D+02  0.339093D+02
      6  -0.106807D+02  0.534094D+01 -0.200064D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.266771D+01 -0.559094D+00 -0.198559D+01  0.286437D+00 -0.205636D+01
      2  -0.559094D+00 -0.601730D+00 -0.140508D+01 -0.205636D+01 -0.465589D+01
      3  -0.198559D+01 -0.140508D+01 -0.456524D+01 -0.229745D+00 -0.550098D-01
                 6             7             8             9            10 
      1  -0.229745D+00 -0.400949D+01 -0.260908D+01 -0.437289D+01 -0.223689D+01
      2  -0.550098D-01 -0.260908D+01  0.180543D+01  0.107412D+01  0.103350D+01
      3   0.144695D+01 -0.437289D+01  0.107412D+01  0.448024D-01 -0.570035D-01
                11            12            13            14            15 
      1   0.103350D+01 -0.570035D-01  0.277228D+00 -0.190377D+01  0.146789D+01
      2  -0.129681D+01  0.317327D+01 -0.190377D+01  0.563678D+01  0.514106D+00
      3   0.317327D+01 -0.283662D+01  0.146789D+01  0.514106D+00  0.807870D+00
                16            17            18            19            20 
      1  -0.493515D+00  0.493011D+01 -0.232245D+01 -0.136068D+00 -0.111405D+01
      2   0.493011D+01  0.529600D+00  0.110159D+01 -0.111405D+01 -0.102477D+01
      3  -0.232245D+01  0.110159D+01  0.133469D-02  0.600694D+00  0.138777D+01
                21            22            23            24            25 
      1   0.600694D+00 -0.138970D+01  0.629544D+00  0.128470D+01  0.110346D+01
      2   0.138777D+01  0.629544D+00  0.979507D+01 -0.475513D+00  0.127621D+01
      3   0.186166D+01  0.128470D+01 -0.475513D+00  0.258592D+01  0.327958D+01
                26            27            28            29            30 
      1   0.127621D+01  0.327958D+01 -0.469950D+01 -0.247005D+01 -0.418449D+00
      2  -0.951655D+00  0.502740D+01 -0.247005D+01 -0.353162D+01 -0.984344D+00
      3   0.502740D+01  0.370831D+01 -0.418449D+00 -0.984344D+00 -0.133184D+01
                31            32            33            34            35 
      1  -0.335435D+01 -0.602413D+01 -0.230342D+01 -0.107423D+01 -0.169190D+01
      2  -0.602413D+01 -0.178029D+02 -0.518515D+00 -0.169190D+01 -0.167061D+01
      3  -0.230342D+01 -0.518515D+00 -0.402857D+01 -0.269422D+01 -0.303156D+01
                36            37            38            39            40 
      1  -0.269422D+01  0.297979D+01  0.630222D+00  0.882284D+00 -0.655362D+00
      2  -0.303156D+01  0.630222D+00  0.427200D+01  0.273615D+01  0.596269D+01
      3  -0.170209D+01  0.882284D+00  0.273615D+01  0.201864D+01  0.232905D+01
                41            42            43            44            45 
      1   0.596269D+01  0.232905D+01  0.152025D+01  0.250094D+01  0.424309D+01
      2   0.514803D+01 -0.302808D+01  0.250094D+01 -0.328776D+01  0.436350D+01
      3  -0.302808D+01  0.267876D+01  0.424309D+01  0.436350D+01  0.123438D+01
                46            47            48            49            50 
      1   0.508651D+01  0.161250D+01 -0.451760D+00  0.321317D+01  0.688126D+01
      2   0.161250D+01  0.683756D+01  0.277817D+01  0.688126D+01  0.145998D+02
      3  -0.451760D+00  0.277817D+01  0.157407D+01  0.278214D+01 -0.815582D+00
                51            52            53            54            55 
      1   0.278214D+01  0.534423D-02  0.324218D+01  0.184921D+01 -0.133009D+01
      2  -0.815582D+00  0.324218D+01 -0.103463D+01  0.346536D+01 -0.124043D+01
      3   0.325296D+01  0.184921D+01  0.346536D+01  0.203685D+01 -0.586783D+00
                56            57            58            59            60 
      1  -0.124043D+01 -0.586783D+00 -0.929322D+00 -0.345522D+01 -0.184077D+01
      2  -0.354490D+01 -0.259363D+01 -0.345522D+01 -0.907228D+01  0.120632D+01
      3  -0.259363D+01 -0.767423D+00 -0.184077D+01  0.120632D+01 -0.298962D+01
                61            62            63            64            65 
      1  -0.487053D+00 -0.244330D+01 -0.132302D+01  0.279125D+01  0.185583D+00
      2  -0.244330D+01  0.162854D+01 -0.605459D+01  0.185583D+00  0.154204D+01
      3  -0.132302D+01 -0.605459D+01 -0.183714D+01  0.397137D+01 -0.651178D+00
                66            67            68            69            70 
      1   0.397137D+01  0.371086D+00  0.520217D+01 -0.104662D+00  0.662904D+01
      2  -0.651178D+00  0.520217D+01 -0.424859D+01  0.262989D+01 -0.705072D+00
      3   0.441350D+01 -0.104662D+00  0.262989D+01  0.189786D+00  0.492584D+01
                71            72            73            74            75 
      1  -0.705072D+00  0.492584D+01  0.196875D+01 -0.134707D+01 -0.153051D+01
      2   0.235405D+01  0.186758D+00 -0.134707D+01  0.889764D+00  0.954814D+00
      3   0.186758D+00 -0.191458D+00 -0.153051D+01  0.954814D+00  0.262451D+01
                76            77            78            79            80 
      1  -0.130103D+01  0.580220D+00  0.586496D+00 -0.180231D+01  0.101299D+01
      2   0.580220D+00 -0.172178D+01 -0.208795D+01  0.101299D+01 -0.224584D+01
      3   0.586496D+00 -0.208795D+01 -0.284393D+01  0.215570D+01 -0.289941D+01
                81            82            83            84            85 
      1   0.215570D+01  0.384772D+01  0.186130D+01 -0.191885D+01  0.158297D+01
      2  -0.289941D+01  0.186130D+01  0.184942D+01 -0.176150D+01  0.136227D+01
      3  -0.628265D+01 -0.191885D+01 -0.176150D+01  0.245033D+01 -0.128781D+01
                86            87            88            89            90 
      1   0.136227D+01 -0.128781D+01 -0.240000D+01 -0.182212D+01  0.223193D+01
      2   0.334250D+01 -0.205885D+01 -0.182212D+01 -0.219241D+01  0.214550D+01
      3  -0.205885D+01  0.173621D+01  0.223193D+01  0.214550D+01 -0.332958D+01
                91            92            93            94            95 
      1  -0.458066D+01 -0.187713D+01 -0.227300D+01 -0.241501D+01 -0.286359D+01
      2  -0.187713D+01 -0.143857D+01 -0.120967D+01 -0.286359D+01 -0.306836D+01
      3  -0.227300D+01 -0.120967D+01 -0.187222D+01 -0.120376D+01 -0.115740D+01
                96            97            98            99           100 
      1  -0.120376D+01 -0.509774D+01 -0.272184D+01 -0.337773D+01 -0.602921D+01
      2  -0.115740D+01 -0.272184D+01 -0.220899D+01 -0.271895D+01  0.198771D+01
      3  -0.172892D+01 -0.337773D+01 -0.271895D+01 -0.451825D+01  0.161634D+01
               101           102           103           104           105 
      1   0.198771D+01  0.161634D+01  0.475006D+01 -0.207401D+01 -0.142979D+01
      2  -0.128490D+01 -0.689326D+00 -0.207401D+01  0.202291D+01  0.100474D+01
      3  -0.689326D+00 -0.132720D+01 -0.142979D+01  0.100474D+01  0.102402D+01
               106           107           108           109           110 
      1   0.237670D+01 -0.838287D+00 -0.201391D+01 -0.483198D+00 -0.889459D+00
      2  -0.838287D+00  0.933132D+00  0.418920D+00 -0.889459D+00  0.135833D-01
      3  -0.201391D+01  0.418920D+00  0.140528D+01  0.525354D+00 -0.270686D+00
               111           112           113           114           115 
      1   0.525354D+00 -0.280504D+01 -0.291363D+01  0.744780D+00  0.179782D+01
      2  -0.270686D+00 -0.291363D+01 -0.682646D+01  0.316691D+01  0.106720D+01
      3  -0.240207D+00  0.744780D+00  0.316691D+01 -0.255662D+01 -0.177562D+01
               116           117           118           119           120 
      1   0.106720D+01 -0.177562D+01  0.173416D+01  0.136828D+01  0.131250D+01
      2   0.378643D+01 -0.337695D+01  0.136828D+01  0.184881D+01  0.135101D+01
      3  -0.337695D+01  0.304735D+01  0.131250D+01  0.135101D+01  0.119147D+01
               121           122           123           124           125 
      1   0.129098D+01  0.170396D+01  0.776777D+00  0.252116D+01  0.158134D+01
      2   0.170396D+01  0.604105D+01  0.228756D+01  0.158134D+01  0.459659D+01
      3   0.776777D+00  0.228756D+01  0.205048D+01  0.142277D+01  0.435587D+01
               126           127           128           129           130 
      1   0.142277D+01 -0.470270D+00  0.121297D+01 -0.690775D+00  0.168612D+01
      2   0.435587D+01  0.121297D+01 -0.977030D+00  0.689577D+00  0.509239D+00
      3   0.458034D+01 -0.690775D+00  0.689577D+00 -0.132665D+00  0.224258D+00
               131           132           133           134           135 
      1   0.509239D+00  0.224258D+00 -0.136850D+01  0.335619D+00  0.223795D+00
      2   0.106000D+02 -0.347007D+01  0.335619D+00 -0.525534D+01  0.387103D+01
      3  -0.347007D+01  0.208210D+01  0.223795D+00  0.387103D+01 -0.237011D+01
               136           137           138           139           140 
      1   0.531363D+01 -0.193419D+01 -0.246540D+01 -0.229707D+01 -0.300189D+01
      2  -0.193419D+01 -0.194210D+01 -0.704716D+00 -0.300189D+01  0.475054D+01
      3  -0.246540D+01 -0.704716D+00 -0.314628D+01 -0.740840D+00 -0.476638D+01
               141           142           143           144           145 
      1  -0.740840D+00 -0.305863D+01 -0.381948D+00 -0.340884D+01 -0.176297D+00
      2  -0.476638D+01 -0.381948D+00 -0.341238D+01 -0.128004D+01 -0.174058D+01
      3  -0.169499D+01 -0.340884D+01 -0.128004D+01  0.174321D-01 -0.287494D+01
               146           147           148           149           150 
      1  -0.174058D+01 -0.287494D+01 -0.214210D+01 -0.558981D+01 -0.604707D+00
      2  -0.327875D+01 -0.401806D+00 -0.558981D+01  0.525241D+01 -0.244054D+01
      3  -0.401806D+00 -0.247309D+01 -0.604707D+00 -0.244054D+01 -0.177104D+01
               151           152           153           154           155 
      1  -0.331734D+01 -0.606038D+00 -0.380382D+01 -0.728007D+01  0.100464D+01
      2  -0.606038D+00 -0.288494D+01 -0.165067D+01  0.100464D+01 -0.699373D+00
      3  -0.380382D+01 -0.165067D+01  0.502877D+01  0.931339D+00  0.363144D+00
               156           157           158           159           160 
      1   0.931339D+00  0.132965D+01 -0.384154D+00  0.173504D+00  0.100505D+01
      2   0.363144D+00 -0.384154D+00 -0.228495D+00  0.669892D+00  0.120594D+00
      3  -0.209893D+01  0.173504D+00  0.669892D+00  0.681789D+00 -0.120071D+01
               161           162           163           164           165 
      1   0.120594D+00 -0.120071D+01  0.257723D+01  0.127911D+01  0.264562D+01
      2   0.591166D+00  0.376640D+00  0.127911D+01  0.126609D+01  0.948142D+00
      3   0.376640D+00  0.898560D+00  0.264562D+01  0.948142D+00  0.342606D+01
               166           167           168           169           170 
      1   0.197142D+01  0.157678D+01  0.155672D+01  0.197675D+01  0.786523D+00
      2   0.157678D+01  0.154596D+01  0.238492D+01  0.786523D+00  0.147962D+01
      3   0.155672D+01  0.238492D+01  0.351255D+01  0.260579D+01  0.178626D+01
               171           172           173           174           175 
      1   0.260579D+01  0.681128D+00 -0.113520D+01  0.117536D+01 -0.142030D+01
      2   0.178626D+01 -0.113520D+01  0.134039D+01 -0.543712D+00  0.192678D+01
      3   0.532078D+01  0.117536D+01 -0.543712D+00  0.123524D+01 -0.834217D+00
               176           177           178           179           180 
      1   0.192678D+01 -0.834217D+00  0.672881D+00 -0.379455D+00  0.952059D+00
      2  -0.688986D+01  0.380182D+01 -0.379455D+00  0.191198D+01 -0.176654D+01
      3   0.380182D+01 -0.323840D+01  0.952059D+00 -0.176654D+01  0.222325D+01
               181           182           183           184           185 
      1   0.128612D+01  0.409285D+00 -0.150734D+01  0.871863D+00  0.952740D+00
      2   0.409285D+00  0.502886D+00 -0.569127D-02  0.952740D+00 -0.181440D+00
      3  -0.150734D+01 -0.569127D-02  0.158084D+01 -0.223617D+00 -0.614665D+00
               186           187           188           189           190 
      1  -0.223617D+00 -0.320399D+01  0.108349D+00  0.313954D+01  0.248304D+01
      2  -0.614665D+00  0.108349D+00 -0.790956D+00  0.523388D+00 -0.179234D+01
      3   0.864782D+00  0.313954D+01  0.523388D+00 -0.698901D+01  0.654226D+00
               191           192           193           194           195 
      1  -0.179234D+01  0.654226D+00 -0.419974D+01  0.443523D+01 -0.402351D+00
      2   0.182778D+01 -0.276067D+00  0.443523D+01 -0.767465D+01  0.128948D+01
      3  -0.276067D+00  0.472157D+00 -0.402351D+00  0.128948D+01 -0.114861D+01
               196           197           198           199           200 
      1   0.157607D+01 -0.732532D+00  0.127084D+01  0.639513D+01  0.199255D+01
      2  -0.732532D+00  0.148105D+01 -0.102787D+01  0.199255D+01  0.157890D+01
      3   0.127084D+01 -0.102787D+01  0.380915D+00  0.216625D+01  0.768442D+00
               201           202           203           204           205 
      1   0.216625D+01  0.451344D+01  0.279997D+01  0.128821D+01  0.423764D+01
      2   0.768442D+00  0.279997D+01  0.187732D+01  0.141980D+01  0.103424D+01
      3   0.155251D+01  0.128821D+01  0.141980D+01  0.159515D+01  0.257531D+01
               206           207           208           209           210 
      1   0.103424D+01  0.257531D+01  0.888275D-01 -0.103879D+01  0.382520D+00
      2   0.149493D+01  0.117179D+01 -0.103879D+01  0.234852D-01 -0.391927D+00
      3   0.117179D+01  0.191372D+01  0.382520D+00 -0.391927D+00 -0.244636D+00
               211           212           213           214           215 
      1  -0.163175D+01 -0.580570D+00  0.121281D-01  0.140998D+01  0.141421D+00
      2  -0.580570D+00 -0.927513D+01  0.167467D+01  0.141421D+00  0.414597D+01
      3   0.121281D-01  0.167467D+01 -0.143469D+01 -0.636263D+00 -0.259412D+01
               216           217           218           219           220 
      1  -0.636263D+00 -0.198139D+01 -0.101085D+01 -0.192955D+01 -0.684931D+00
      2  -0.259412D+01 -0.101085D+01 -0.168932D+01 -0.171638D+01 -0.114356D+01
      3   0.974891D+00 -0.192955D+01 -0.171638D+01 -0.204107D+01 -0.919239D+00
               221           222           223           224           225 
      1  -0.114356D+01 -0.919239D+00 -0.270359D+01 -0.145343D+01 -0.234904D+01
      2  -0.385802D+01 -0.230991D+01 -0.145343D+01 -0.296570D+01 -0.423843D+01
      3  -0.230991D+01 -0.227819D+01 -0.234904D+01 -0.423843D+01 -0.662182D+01
               226           227           228           229           230 
      1  -0.516193D+01  0.357157D+01  0.182610D+01  0.308127D+01 -0.253214D+01
      2   0.357157D+01 -0.248286D+01 -0.154479D+01 -0.253214D+01  0.489147D+01
      3   0.182610D+01 -0.154479D+01 -0.132358D+01 -0.110174D+01  0.174838D+01
               231           232           233           234 
      1  -0.110174D+01  0.218423D+01 -0.175271D+01 -0.159695D+01
      2   0.174838D+01 -0.175271D+01  0.216275D+01  0.770974D+00
      3   0.120426D+01 -0.159695D+01  0.770974D+00  0.102514D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.103574D+01  0.622870D+00 -0.122663D+01  0.974546D+00  0.105924D+02
      2  -0.308818D+01 -0.703398D-01 -0.381850D+01 -0.759283D+00 -0.434533D+01
      3   0.306299D+00 -0.300478D+01  0.195775D+01  0.749755D+01  0.899933D+01
                 6             7             8             9            10 
      1  -0.112931D+01  0.177138D+01  0.202406D+01  0.170889D+00 -0.992214D+00
      2  -0.417704D+00 -0.138189D+02 -0.347653D+01 -0.645872D+01 -0.184632D+01
      3   0.337247D+01  0.662871D+01  0.804109D-01  0.423175D+01 -0.122625D+01
                11            12            13            14            15 
      1  -0.419302D+01 -0.429974D+00 -0.215478D+01 -0.966822D+01 -0.454336D+01
      2   0.419813D+01 -0.130312D+01  0.280023D+01  0.425278D+00  0.247758D+01
      3  -0.538719D+01 -0.362467D+01  0.748110D+01 -0.127684D+02  0.253796D+01
                16            17            18            19            20 
      1  -0.452986D+01  0.168431D+01 -0.221632D+01  0.185405D+01  0.398779D+01
      2  -0.660843D+01  0.686770D+01 -0.870997D+00 -0.262685D+01 -0.106148D+01
      3  -0.741588D+01  0.416126D+01 -0.532877D+01 -0.995352D+00 -0.468872D+01
                21            22            23            24            25 
      1   0.239322D+01  0.223939D+01 -0.104598D+02  0.477720D+01  0.467020D+01
      2   0.479009D+00 -0.253075D+01 -0.666483D-01 -0.358815D+01 -0.599295D+01
      3   0.302671D+00  0.537200D+01  0.139943D+02 -0.145952D+01  0.172570D+01
                26            27            28            29            30 
      1   0.180707D+02  0.386084D+01 -0.158737D+00 -0.831406D+00  0.121759D+00
      2  -0.485403D+01 -0.167429D+01 -0.111825D+01  0.604432D+01  0.341821D+01
      3  -0.338354D+01  0.270767D+01 -0.109062D+02 -0.198242D+02 -0.491382D+01
                31            32            33            34            35 
      1   0.336479D+00 -0.362386D+01  0.663443D+00  0.114341D+01  0.103101D+02
      2   0.808707D+01  0.295064D+01  0.107764D+02 -0.307715D+01  0.694624D+01
      3  -0.143907D+02 -0.432317D+02 -0.270291D+01 -0.746583D+01 -0.439529D+01
                36            37            38            39            40 
      1   0.202862D+01  0.140253D+01  0.465100D+01  0.429453D+01  0.390244D+01
      2   0.577349D+01 -0.479747D+01 -0.117851D+02 -0.530726D+01 -0.853881D+01
      3  -0.759879D+01 -0.321910D+01  0.123848D+02  0.947942D+01  0.260767D+02
                41            42            43            44            45 
      1  -0.290487D+01  0.149990D+01  0.830842D+01  0.899281D+01  0.260669D+01
      2   0.104104D+02 -0.104910D+02 -0.207182D+02 -0.203318D+02 -0.600973D+01
      3   0.149973D+02 -0.138859D+02  0.716514D+01 -0.163905D+02  0.124311D+02
                46            47            48            49            50 
      1  -0.383741D+00 -0.257753D+01 -0.148293D+01 -0.156119D+01  0.505630D+01
      2  -0.242896D+01 -0.444426D+01 -0.301829D+01 -0.359922D+01 -0.921854D+00
      3   0.445147D+01  0.801609D+01  0.424949D+01  0.188873D+02  0.459935D+02
                51            52            53            54            55 
      1  -0.428115D+01  0.208486D-01  0.118738D+01 -0.919937D+00  0.154227D+01
      2  -0.882904D+01 -0.135838D+02 -0.106620D+02 -0.433313D+01 -0.177861D+01
      3   0.311371D+01  0.621908D+01  0.361198D+01  0.972329D+01 -0.409158D+01
                56            57            58            59            60 
      1   0.710406D+01  0.229958D+01  0.431474D+01 -0.527917D+01  0.677881D+01
      2   0.833808D+00  0.144111D+01  0.893573D+00  0.769677D+00  0.315339D+00
      3  -0.947522D+01 -0.307315D+01 -0.789175D+00 -0.129737D+02 -0.334341D+01
                61            62            63            64            65 
      1   0.606346D+01  0.232627D+02  0.669092D+01  0.222736D+01  0.312211D+01
      2  -0.272560D+01 -0.179091D+01  0.566229D+00  0.141250D+02 -0.312240D+01
      3  -0.504267D+01 -0.619746D+01 -0.544900D+01 -0.318297D+00 -0.953186D+01
                66            67            68            69            70 
      1   0.195821D+01 -0.401035D+01  0.977194D+00 -0.530799D+01  0.428035D+00
      2   0.151591D+02 -0.942424D-01  0.691580D+01  0.126373D+01  0.370704D+01
      3   0.567280D+00 -0.637523D+01  0.842253D+01 -0.580363D+01 -0.825461D+00
                71            72            73            74            75 
      1   0.633985D+01 -0.446316D+00  0.492392D+00 -0.773515D+00  0.122787D+01
      2   0.127559D+01 -0.247994D+01  0.310274D+01 -0.113941D+01  0.132166D+01
      3  -0.618667D+01 -0.230898D+01 -0.779101D+00 -0.138858D+01  0.431510D+00
                76            77            78            79            80 
      1  -0.114001D+00  0.131418D+01 -0.752729D+00  0.610598D+00  0.358223D+01
      2  -0.181384D+01 -0.105259D+01 -0.189022D+01 -0.382989D+01 -0.539654D+00
      3   0.288803D+01  0.660375D+00  0.126638D+01  0.189286D+01  0.216185D+01
                81            82            83            84            85 
      1  -0.148752D+01  0.113962D+01 -0.268136D+00 -0.200776D+01  0.180803D+00
      2  -0.140258D+01  0.252108D+01 -0.465163D+00  0.271166D+01  0.173190D-02
      3   0.485411D+00  0.380036D+01 -0.190930D+01 -0.459599D+00  0.280766D+01
                86            87            88            89            90 
      1  -0.166529D+01 -0.168752D+01 -0.143885D+01  0.152130D+01  0.293303D+01
      2  -0.959082D+00  0.121680D+01 -0.220735D+01 -0.162849D-01 -0.200899D+01
      3  -0.267877D+01  0.929169D+00 -0.173593D+01  0.150673D+01  0.105016D+01
                91            92            93            94            95 
      1  -0.323156D+01 -0.139484D+01 -0.283096D+01 -0.211784D+01 -0.107382D+01
      2   0.786208D+01  0.460405D+01  0.849319D+01  0.454382D+01  0.444394D+01
      3  -0.238021D+01 -0.574308D+01 -0.264745D+01 -0.645391D+01 -0.908160D+01
                96            97            98            99           100 
      1  -0.327026D+01 -0.468153D+01 -0.233234D+01 -0.569171D+01  0.231309D+01
      2   0.718251D+01  0.105353D+02  0.102602D+02  0.175899D+02 -0.419193D+01
      3  -0.286752D+01 -0.382325D+01 -0.603141D+01 -0.682720D+01  0.117990D+02
               101           102           103           104           105 
      1  -0.175469D+01 -0.101548D+01 -0.165277D+01  0.247733D+01 -0.246332D+00
      2   0.218078D+01  0.630291D+01  0.349253D+01 -0.340644D+01 -0.448426D+01
      3  -0.839752D+01 -0.419706D+01 -0.840993D+01  0.108154D+02  0.482893D+01
               106           107           108           109           110 
      1  -0.201658D+01  0.161537D+01  0.836958D+00 -0.118583D+00 -0.824112D+00
      2   0.481831D+01 -0.134512D+01 -0.495408D+01 -0.175918D+01  0.187309D+01
      3  -0.474592D+01  0.537882D+01  0.282662D+01 -0.299778D+01 -0.622766D+00
               111           112           113           114           115 
      1  -0.450768D+00  0.747397D+00  0.734963D+00 -0.395684D+01 -0.232005D+01
      2   0.120247D+01 -0.108014D+01 -0.107930D+02  0.956154D+01  0.361280D+01
      3  -0.137423D+01 -0.561193D+01 -0.226199D+02  0.109255D+02  0.130361D+01
               116           117           118           119           120 
      1  -0.148989D+01  0.322705D+01 -0.431522D+01 -0.347623D+01 -0.395736D+01
      2   0.115499D+02 -0.105085D+02 -0.138457D+01 -0.108865D+01  0.838601D+00
      3   0.139209D+02 -0.105867D+02  0.586298D+01  0.190035D+01  0.379487D+01
               121           122           123           124           125 
      1  -0.152867D+01 -0.488213D+01 -0.675043D+01 -0.391667D+01 -0.965270D+01
      2  -0.795281D+00 -0.953804D+00  0.852599D-01 -0.225558D+01 -0.677704D+00
      3   0.581270D+01  0.613647D+01  0.239959D+01  0.948120D+01  0.512988D+01
               126           127           128           129           130 
      1  -0.133920D+02  0.147962D+01 -0.206798D+01  0.137363D+00  0.215871D+00
      2  -0.948948D+00  0.594120D+00  0.880900D+00  0.104079D+01  0.366619D+00
      3   0.447496D+01 -0.117137D+01  0.118760D+01 -0.140131D+01  0.766782D+01
               131           132           133           134           135 
      1   0.692436D+01 -0.708809D+01 -0.212898D+01 -0.752388D+01  0.617674D+01
      2  -0.797444D+00 -0.481157D-01 -0.183373D+01  0.120751D+00 -0.742403D-01
      3   0.486106D+01 -0.183803D+00 -0.431285D+01 -0.230042D+00  0.202657D+01
               136           137           138           139           140 
      1  -0.702618D+01 -0.480957D+01 -0.290128D+01 -0.727588D+01  0.825483D+01
      2  -0.178254D+02  0.312368D+01  0.537901D+01  0.380319D+01 -0.239151D+01
      3   0.117299D+00  0.177494D+01  0.260346D+01  0.874187D+01 -0.637065D+01
               141           142           143           144           145 
      1  -0.150272D+02 -0.259800D+01 -0.748068D+01 -0.360149D+01 -0.148718D+01
      2  -0.864959D+00  0.614074D+00 -0.116816D+01  0.589412D+01 -0.102469D+02
      3   0.800331D+01  0.252527D+01  0.567566D+01  0.376680D+01  0.738522D+01
               146           147           148           149           150 
      1  -0.238311D+00 -0.206826D+01  0.488321D+00 -0.223853D+01 -0.239263D+01
      2  -0.163244D+01 -0.997454D+01 -0.237734D+01 -0.103520D+02 -0.622632D+01
      3   0.131927D+02  0.295403D+01  0.258555D+02 -0.170379D+02  0.962535D+01
               151           152           153           154           155 
      1  -0.279181D+01  0.156562D+01  0.333922D+01  0.418056D+01 -0.255578D+01
      2  -0.196126D+02 -0.535454D+01  0.180753D+02  0.226684D+02 -0.301317D+01
      3   0.359466D+01  0.986086D+01  0.792154D+01  0.301301D+01 -0.132095D+01
               156           157           158           159           160 
      1  -0.254588D+00 -0.223546D+01  0.505261D+00  0.255570D+00 -0.731894D+00
      2  -0.166257D+01 -0.384443D+01  0.158718D+01  0.939849D-01 -0.490666D+01
      3  -0.359327D+00  0.197653D+01  0.703936D-01 -0.516530D+00 -0.312437D+00
               161           162           163           164           165 
      1   0.161208D+01  0.880977D+00  0.399638D+01  0.484834D+01  0.291498D+01
      2   0.340838D+00  0.266275D+01 -0.140643D+01 -0.113812D+01  0.212376D+01
      3   0.361312D+00  0.179885D+00 -0.214448D+01 -0.393840D+01 -0.226977D+01
               166           167           168           169           170 
      1   0.409932D+01  0.562205D+01  0.522431D+01  0.307756D+01  0.622432D+01
      2  -0.290712D+01  0.767593D+00  0.297877D+01 -0.287330D+01  0.792567D+00
      3  -0.151603D+01 -0.355870D+01 -0.412321D+01 -0.133341D+01 -0.345513D+01
               171           172           173           174           175 
      1   0.589586D+01 -0.999076D+00  0.282578D+01  0.454260D+00  0.346621D+01
      2   0.339686D+01  0.800022D+00  0.666959D+00  0.718282D+00  0.284964D+01
      3  -0.360917D+01  0.955570D+00 -0.236932D+01  0.308357D+00  0.114108D+01
               176           177           178           179           180 
      1  -0.137011D+02  0.294420D+01 -0.493621D+00  0.478650D+01 -0.186542D+01
      2   0.279933D+01 -0.417819D+01 -0.162845D+01 -0.142012D+01  0.179459D+01
      3   0.996185D+01 -0.527763D+01 -0.696948D+00 -0.280204D+01  0.208483D+01
               181           182           183           184           185 
      1  -0.103002D+01 -0.579475D+00  0.885104D+00 -0.122006D+00 -0.452782D+00
      2  -0.518830D+01  0.153094D+00  0.639526D+01  0.847580D-01 -0.144794D+01
      3  -0.192460D+01 -0.247459D+01  0.945058D+00 -0.226306D+01 -0.103409D+00
               186           187           188           189           190 
      1  -0.243343D+00  0.136601D+01  0.319036D+01 -0.372195D+01  0.504877D+00
      2   0.315525D+01  0.610878D+01  0.223034D+01 -0.247647D+02  0.241575D+01
      3   0.209468D+01  0.919440D+00  0.392035D+01 -0.339138D+01  0.489285D+01
               191           192           193           194           195 
      1  -0.378967D+00  0.105948D+01 -0.338350D+00  0.135666D+01 -0.368684D+01
      2  -0.140503D+01  0.335387D+01 -0.153694D+01  0.524530D+01 -0.531451D+01
      3  -0.744716D+01  0.790937D+00 -0.100479D+02  0.260952D+02 -0.460439D+01
               196           197           198           199           200 
      1   0.753594D+00  0.147794D+00  0.701185D+00  0.122870D+01  0.861839D+00
      2   0.313700D+01 -0.313321D+01  0.137212D+01  0.774854D+01  0.312104D+01
      3   0.906945D+00 -0.520533D+01  0.254184D+01 -0.100224D+02 -0.877804D+01
               201           202           203           204           205 
      1   0.152519D+00  0.751349D+00  0.111067D+01 -0.750435D+00  0.110322D+01
      2   0.829771D+01  0.435609D+01  0.541178D+01  0.703925D+01  0.734749D+01
      3  -0.403674D+01 -0.100077D+02 -0.900082D+01 -0.585243D+01 -0.503456D+01
               206           207           208           209           210 
      1   0.169886D+01  0.111690D+00  0.221641D+01 -0.994527D+00  0.797439D-01
      2   0.438180D+01  0.760725D+01 -0.636335D+00  0.589331D+00  0.172230D+01
      3  -0.724235D+01 -0.540279D+01 -0.188069D+01  0.516649D+00 -0.147130D+01
               211           212           213           214           215 
      1   0.602815D+00  0.105707D+02 -0.681746D+01 -0.127479D+01 -0.771899D+01
      2  -0.103608D+01 -0.283462D+01  0.170693D+01  0.720990D+00  0.313486D+01
      3   0.576561D+01 -0.108378D+02  0.158633D+01 -0.438428D+01  0.549451D+01
               216           217           218           219           220 
      1   0.513170D+01 -0.233334D+01 -0.172715D+01 -0.269237D+01 -0.392946D+00
      2  -0.203369D+01 -0.391653D+00  0.797802D+00  0.166553D+01 -0.560195D+00
      3  -0.214178D+01  0.275176D+01 -0.264473D+01  0.301545D+00  0.198961D+01
               221           222           223           224           225 
      1   0.577415D+00 -0.317312D+01 -0.162979D+01 -0.289167D+01 -0.794351D+01
      2   0.150413D+01  0.173932D+01 -0.341883D+01  0.323107D+01  0.517231D+01
      3  -0.391119D+01 -0.982953D+00  0.365911D+01 -0.181415D+01 -0.192369D+01
               226           227           228           229           230 
      1  -0.146626D+01  0.142146D+01  0.333975D+01  0.842361D+00 -0.131754D+01
      2  -0.780235D+00  0.249133D+01  0.464477D+01  0.194424D+00 -0.290879D+01
      3  -0.330319D+01 -0.112752D+01 -0.645289D-01  0.241581D+01  0.519526D+01
               231           232           233           234 
      1  -0.266340D+01  0.326044D+01  0.237470D+01 -0.209962D+01
      2  -0.326017D+01  0.197845D+01  0.160967D+01 -0.173143D+01
      3   0.126952D+01  0.110768D+01  0.206934D+01 -0.188417D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.127732D+02 -0.590972D+01 -0.995500D+01 -0.545268D+01 -0.265428D+01
      2   0.856845D+01  0.247385D+01  0.838673D+00  0.750315D+00  0.768680D+01
      3   0.420475D+01  0.343586D+01  0.911632D+01  0.470236D+01 -0.503252D+01
      4   0.133729D+01 -0.102642D+01 -0.262922D+01 -0.256408D+01 -0.294349D+01
      5  -0.262951D+00 -0.500248D+01 -0.996687D+01  0.593608D+00  0.480225D+00
      6  -0.232169D+01  0.741987D+00  0.528766D+01  0.323793D+01  0.380043D+01
                 6             7             8             9            10 
      1   0.585215D+01 -0.206149D+02 -0.924469D+00 -0.283061D+01 -0.664836D+01
      2  -0.199296D+01  0.653010D+01  0.288681D+01  0.604696D+01  0.585255D+01
      3  -0.385919D+01  0.140848D+02 -0.196234D+01 -0.321636D+01  0.795812D+00
      4   0.313244D+00 -0.571392D+01  0.640278D+01  0.845084D+01 -0.116009D+01
      5   0.575325D+01 -0.802224D+01  0.707837D+01  0.860166D+01  0.445151D+01
      6  -0.446728D+01  0.861560D+01 -0.373188D+01 -0.690764D+01  0.520138D+01
                11            12            13            14            15 
      1   0.723670D+01 -0.386290D+01  0.752864D+01 -0.108487D+02  0.637130D+00
      2  -0.195358D+00  0.301355D+01 -0.179636D+01  0.122986D+02  0.197555D+01
      3  -0.704134D+01  0.849356D+00 -0.573227D+01 -0.144991D+01 -0.261268D+01
      4  -0.653323D+01  0.101191D+02 -0.107790D+02  0.778820D+01  0.657819D+01
      5   0.840165D+01 -0.924966D+01  0.285414D+01  0.327639D+01 -0.331739D+01
      6   0.190090D+01 -0.642109D+01  0.649363D+01  0.169739D+01 -0.735232D+00
                16            17            18            19            20 
      1  -0.706472D+01  0.120461D+02 -0.673489D+01 -0.147875D-01  0.896453D+01
      2   0.457905D+01 -0.659842D+01  0.720680D+01  0.253597D+01 -0.227078D+01
      3   0.248567D+01 -0.544771D+01 -0.471911D+00 -0.252118D+01 -0.669375D+01
      4   0.171975D+02  0.537926D+01 -0.290177D+01  0.353590D+01  0.106577D+01
      5  -0.875735D+01 -0.398753D+01  0.452450D+01 -0.305544D+01 -0.314645D+01
      6  -0.691887D+01 -0.909240D+00  0.430406D+01 -0.757584D+00 -0.551022D+01
                21            22            23            24            25 
      1   0.639219D+01  0.140577D+02  0.202918D+02 -0.494645D+01  0.806891D+01
      2  -0.141819D+01 -0.761378D+01 -0.259081D+02  0.116764D+02 -0.351441D+00
      3  -0.497401D+01 -0.644392D+01  0.561633D+01 -0.672997D+01 -0.771747D+01
      4  -0.551226D+01 -0.115251D+01 -0.182010D+02 -0.566327D+01 -0.669012D+01
      5  -0.790572D+01 -0.524230D+01 -0.496823D+01 -0.969768D+01 -0.995385D+01
      6  -0.759549D+01 -0.450616D+01  0.206022D+01 -0.103737D+02 -0.109379D+02
                26            27            28            29            30 
      1  -0.434755D+01  0.955798D+01  0.176574D+02  0.115157D+02  0.151816D+01
      2   0.214754D+02 -0.185391D+01 -0.135601D+02 -0.669120D+01 -0.250995D+01
      3  -0.171278D+02 -0.770407D+01 -0.409730D+01 -0.482446D+01  0.991797D+00
      4  -0.721402D+01 -0.168091D+02  0.243729D+01  0.204997D+02  0.625776D+01
      5  -0.152771D+02 -0.149818D+02  0.437438D+01  0.476579D+01  0.690820D+01
      6  -0.218171D+02 -0.164766D+02  0.104219D+01 -0.220474D+00 -0.204208D+01
                31            32            33            34            35 
      1   0.118027D+02  0.299134D+02  0.100278D+02  0.785995D+01  0.871952D+01
      2  -0.903249D+01 -0.210711D+02 -0.377838D+01 -0.730335D+01 -0.681423D+01
      3  -0.277025D+01 -0.884225D+01 -0.624939D+01 -0.556599D+00 -0.190529D+01
      4   0.226545D+02  0.539928D+02  0.330421D+00  0.662965D+01  0.439421D+01
      5   0.812669D+01 -0.156261D+01  0.141894D+02  0.167568D+02  0.102136D+02
      6  -0.167815D+01  0.417752D+01  0.138104D+01 -0.171453D+00  0.991172D+01
                36            37            38            39            40 
      1   0.716948D+01 -0.194671D+02  0.321776D+01 -0.303075D+01  0.132900D+02
      2  -0.129735D+02  0.150761D+02 -0.309090D+01  0.227746D-01 -0.918183D+01
      3   0.580403D+01  0.439095D+01 -0.126861D+00  0.300798D+01 -0.410815D+01
      4   0.729607D+01  0.566674D+01 -0.226551D+02 -0.199592D+02 -0.354421D+02
      5   0.980354D+01 -0.584510D+01 -0.210913D+02 -0.168566D+02 -0.198963D+02
      6  -0.152901D+01 -0.811272D+01 -0.482287D+01 -0.445150D+01  0.191081D+01
                41            42            43            44            45 
      1  -0.235724D+02 -0.253435D+02 -0.106010D+02 -0.295476D+02 -0.188490D+02
      2   0.113199D+02  0.169575D+02  0.488704D+01  0.207592D+02  0.795226D+01
      3   0.122525D+02  0.838598D+01  0.571392D+01  0.878832D+01  0.108967D+02
      4  -0.266423D+02  0.161275D+02 -0.219762D+02  0.151866D+02 -0.276682D+02
      5   0.203079D+02 -0.195695D+02 -0.345911D+02 -0.321285D+02 -0.110099D+02
      6   0.114829D+02 -0.141131D+02 -0.113873D+02 -0.204307D+02 -0.821274D+00
                46            47            48            49            50 
      1  -0.192098D+02 -0.115286D+02 -0.144202D+01 -0.245729D+02 -0.409897D+02
      2   0.108839D+02  0.131984D+02  0.278678D+01  0.231931D+02  0.372208D+02
      3   0.832581D+01 -0.166988D+01 -0.134476D+01  0.137983D+01  0.376890D+01
      4   0.785925D+01 -0.179358D+02 -0.127849D+02 -0.240009D+02 -0.362101D+02
      5   0.976229D+01 -0.103800D+02 -0.372963D+01 -0.106683D+02  0.823876D+01
      6  -0.687427D+01  0.857574D+01  0.310249D+01  0.920965D+01 -0.116765D+02
                51            52            53            54            55 
      1  -0.511190D+01 -0.321258D+01 -0.852273D+01 -0.156491D+02  0.403933D+01
      2   0.643034D+00  0.365066D+01 -0.392251D+01  0.243791D+01 -0.302760D+01
      3   0.446887D+01 -0.438081D+00  0.124452D+02  0.132112D+02 -0.101173D+01
      4   0.105989D+02 -0.186416D+02  0.133680D+02 -0.880413D+01  0.887249D+00
      5  -0.114561D+02 -0.146320D+01 -0.894631D+01 -0.179111D+01 -0.333513D+01
      6   0.450630D+01  0.532956D+01  0.159922D+02  0.896897D+00 -0.219144D+01
                56            57            58            59            60 
      1   0.937484D+01  0.852397D+01  0.966244D+01  0.424870D+02 -0.438059D+01
      2  -0.109073D+02 -0.110626D+02 -0.106725D+02 -0.465797D+02  0.995084D+01
      3   0.153249D+01  0.253862D+01  0.101011D+01  0.409268D+01 -0.557025D+01
      4   0.239192D+01  0.158707D+00  0.717926D+01  0.328863D+01 -0.111512D+02
      5  -0.332337D+00 -0.362209D+01  0.665359D-01 -0.663810D+01  0.388153D+00
      6  -0.116089D+02 -0.330227D+01 -0.698899D+01  0.127782D+02 -0.187718D+02
                61            62            63            64            65 
      1   0.969428D+01 -0.779699D+01  0.248832D+02 -0.112892D+01  0.438325D+01
      2  -0.938015D+01  0.157934D+02 -0.277271D+02 -0.469395D+01 -0.445325D+01
      3  -0.314137D+00 -0.799642D+01  0.284390D+01  0.582287D+01  0.700018D-01
      4  -0.158998D+01 -0.145166D+02 -0.335206D+01  0.379039D+01  0.593846D+01
      5  -0.146167D+01 -0.356822D+01 -0.444984D+01  0.127688D+02 -0.443973D+00
      6  -0.994205D+01 -0.394205D+02 -0.777446D+01 -0.180088D+01  0.456252D+01
                66            67            68            69            70 
      1   0.121436D+02  0.610195D+01  0.141961D+02  0.838198D+00  0.221657D+02
      2  -0.897978D+01 -0.425295D+01 -0.882155D+01 -0.202801D+01 -0.145497D+02
      3  -0.316383D+01 -0.184900D+01 -0.537455D+01  0.118981D+01 -0.761605D+01
      4  -0.301183D+01  0.183688D+02 -0.155350D+02  0.775101D+01 -0.471524D+01
      5   0.144193D+02 -0.106688D+00  0.860134D+01  0.210943D+01  0.193549D+02
      6  -0.472112D+00  0.258285D+00 -0.550035D+01  0.301830D+01 -0.261280D+01
                71            72            73            74            75 
      1  -0.170704D+01  0.148622D+02  0.213499D+01  0.564850D+00  0.322295D+01
      2  -0.101199D+01 -0.116203D+02 -0.481621D+01  0.100708D+01  0.391780D+01
      3   0.271903D+01 -0.324181D+01  0.268122D+01 -0.157193D+01 -0.714075D+01
      4   0.699625D+01 -0.803940D+00 -0.691691D+01  0.716643D+01  0.531286D+01
      5   0.123336D+01 -0.223215D+01 -0.863304D+01  0.548214D+01  0.132531D+02
      6   0.474674D+01  0.109729D+01  0.544460D+01 -0.436542D+01 -0.611719D+01
                76            77            78            79            80 
      1   0.860924D+00 -0.915835D+01 -0.910759D+01  0.329909D+01 -0.815434D+01
      2   0.772190D+00  0.367963D+01  0.371783D+00  0.381548D+01 -0.151133D+01
      3  -0.163311D+01  0.547872D+01  0.873581D+01 -0.711457D+01  0.966567D+01
      4   0.443989D+01 -0.506746D+01 -0.590248D+01  0.505498D+01 -0.636749D+01
      5   0.447378D+01 -0.605417D+01 -0.726216D+01  0.981228D+01 -0.798406D+01
      6  -0.348191D+01  0.985219D+01  0.128886D+02 -0.545104D+01  0.129795D+02
                81            82            83            84            85 
      1  -0.186996D+02  0.933829D+01  0.740704D+00 -0.271924D+00 -0.126397D+01
      2  -0.973527D+01 -0.654732D+01  0.332075D+00  0.250350D+01  0.141498D+01
      3   0.284348D+02 -0.279097D+01 -0.107278D+01 -0.223158D+01 -0.151015D+00
      4  -0.928021D+01  0.146671D+02  0.134811D+02 -0.987020D+01  0.103709D+02
      5  -0.170426D+02 -0.130473D+02 -0.864357D+01  0.134756D+02 -0.668385D+01
      6   0.186074D+02 -0.891926D+01 -0.778730D+01  0.820163D+01 -0.673063D+01
                86            87            88            89            90 
      1  -0.654692D+01  0.352900D+01 -0.750061D+00  0.269469D+01 -0.559136D+01
      2   0.798503D+01 -0.195877D+01  0.311413D+01 -0.335352D+00 -0.393472D+01
      3  -0.143811D+01 -0.157024D+01 -0.236407D+01 -0.235934D+01  0.952608D+01
      4   0.139977D+02 -0.928779D+01 -0.972904D+01 -0.103293D+02  0.112571D+02
      5  -0.859764D+01  0.667717D+01  0.117740D+02  0.948625D+01 -0.136625D+02
      6  -0.123787D+02  0.113401D+02  0.914120D+01  0.126805D+02 -0.141662D+02
                91            92            93            94            95 
      1   0.352672D+02  0.122833D+02  0.160500D+02  0.136605D+02  0.117246D+02
      2  -0.191353D+02 -0.471033D+01 -0.818539D+01 -0.464699D+01 -0.246805D+01
      3  -0.161319D+02 -0.757299D+01 -0.786464D+01 -0.901351D+01 -0.925654D+01
      4   0.166107D+02  0.136315D+02  0.108490D+02  0.219023D+02  0.216004D+02
      5   0.203635D+02  0.107153D+02  0.182058D+02  0.107018D+02  0.924454D+01
      6   0.631958D+01  0.345224D+01  0.453586D+01  0.424950D+01  0.415732D+01
                96            97            98            99           100 
      1   0.711432D+01  0.336164D+02  0.148410D+02  0.158500D+02  0.517251D+02
      2  -0.213672D+01 -0.191083D+02 -0.709858D+01 -0.122940D+02 -0.300365D+02
      3  -0.497759D+01 -0.145081D+02 -0.774243D+01 -0.355600D+01 -0.216886D+02
      4   0.952889D+01  0.218178D+02  0.172292D+02  0.190054D+02 -0.156108D+02
      5   0.135229D+02  0.306554D+02  0.214145D+02  0.356247D+02 -0.166937D+02
      6   0.811068D+01  0.952781D+01  0.112115D+02  0.111071D+02  0.136933D+01
               101           102           103           104           105 
      1  -0.165555D+02 -0.125595D+02 -0.351332D+02  0.136406D+02  0.940377D+01
      2   0.103854D+02  0.910678D+01  0.202509D+02 -0.718349D+01 -0.743145D+01
      3   0.617005D+01  0.345274D+01  0.148823D+02 -0.645713D+01 -0.197232D+01
      4   0.124047D+02  0.545707D+01  0.186809D+02 -0.175495D+02 -0.768480D+01
      5   0.657672D+01  0.140142D+02  0.129837D+02 -0.827227D+01 -0.955774D+01
      6  -0.437540D+00  0.256790D+00 -0.182594D+01  0.183920D+01  0.311486D+01
               106           107           108           109           110 
      1  -0.176969D+02  0.666186D+01  0.110870D+02  0.376171D+01  0.724278D+01
      2   0.126443D+02 -0.583884D+01 -0.964945D+01 -0.188577D+01 -0.413640D+01
      3   0.505259D+01 -0.823016D+00 -0.143752D+01 -0.187594D+01 -0.310638D+01
      4   0.649659D+01 -0.710581D+01 -0.357704D+01  0.537477D+01  0.519111D+01
      5   0.185169D+02 -0.406728D+01 -0.121319D+02 -0.332096D+01 -0.318941D+00
      6  -0.495415D+00  0.398044D+01  0.110696D+01 -0.229165D+01  0.121797D+01
               111           112           113           114           115 
      1  -0.457055D+01  0.123214D+02 -0.262354D+01  0.627453D+01 -0.781137D+01
      2   0.209545D+01 -0.408152D+01  0.125475D+02 -0.572785D+01  0.431525D+01
      3   0.247510D+01 -0.823993D+01 -0.992399D+01 -0.546683D+00  0.349612D+01
      4  -0.711518D+00  0.211726D+02  0.405815D+02 -0.188189D+02 -0.841519D+01
      5   0.493560D+01 -0.699225D+01 -0.211688D+02  0.182107D+02  0.160574D+02
      6   0.595934D+00 -0.621796D+01 -0.184931D+02  0.139543D+02  0.728592D+01
               116           117           118           119           120 
      1   0.735127D+01 -0.175052D+01 -0.272535D+01 -0.634845D+01 -0.481714D+01
      2  -0.649742D+01 -0.172981D+01  0.284393D+01  0.813664D+01  0.481517D+01
      3  -0.853851D+00  0.348033D+01 -0.118579D+00 -0.178819D+01  0.196818D-02
      4  -0.226885D+02  0.198548D+02  0.614676D+01  0.866205D+01  0.537711D+01
      5   0.230950D+02 -0.199067D+02  0.253560D+01  0.348101D+01  0.531350D+01
      6   0.173694D+02 -0.137865D+02  0.741116D+01  0.755903D+01  0.619359D+01
               121           122           123           124           125 
      1  -0.536515D+01 -0.245793D+02 -0.939554D+01 -0.750186D+01 -0.193963D+02
      2   0.699311D+01  0.301837D+02  0.103025D+02  0.625505D+01  0.191135D+02
      3  -0.162795D+01 -0.560448D+01 -0.906958D+00  0.124681D+01  0.282806D+00
      4   0.383722D+01  0.423173D+01  0.372544D+01  0.594363D+01  0.614619D+01
      5   0.179884D+01  0.270972D+01  0.148613D+01  0.518666D+01  0.410491D+01
      6   0.460474D+01  0.153849D+02  0.152357D+02  0.822973D+01  0.282722D+02
               126           127           128           129           130 
      1  -0.203085D+02 -0.132600D+01  0.291140D+01 -0.216014D+01 -0.292193D+01
      2   0.146899D+02  0.468591D+01 -0.592575D+01  0.264632D+01  0.861741D+00
      3   0.561857D+01 -0.335991D+01  0.301435D+01 -0.486180D+00  0.206019D+01
      4   0.482499D+01 -0.389749D+01  0.111757D+02 -0.381409D+01  0.560242D+01
      5   0.333549D+01  0.232366D+01 -0.231030D+01  0.404623D+01 -0.176576D+01
      6   0.247567D+02 -0.455342D+01  0.513492D+01 -0.786936D+00  0.935903D+00
               131           132           133           134           135 
      1  -0.441781D+02  0.143146D+02 -0.242831D-01  0.237319D+02 -0.177294D+02
      2   0.620187D+02 -0.189547D+02  0.119158D+01 -0.289947D+02  0.165747D+02
      3  -0.178405D+02  0.464012D+01 -0.116730D+01  0.526283D+01  0.115467D+01
      4  -0.989397D+01  0.439808D+01 -0.370525D+01  0.570713D+01 -0.315331D+01
      5   0.317232D+01 -0.131267D+01  0.315615D+01 -0.167330D+01  0.231917D+01
      6  -0.286188D+02  0.171966D+02  0.175165D+01  0.287311D+02 -0.169163D+02
               136           137           138           139           140 
      1   0.151963D+02 -0.504326D+01  0.486068D+00 -0.770129D+01  0.717287D+01
      2  -0.129234D+00  0.709734D+01  0.830904D+01  0.113785D+02 -0.276269D+01
      3  -0.150671D+02 -0.205407D+01 -0.879511D+01 -0.367726D+01 -0.441017D+01
      4  -0.871281D+01 -0.405179D+01 -0.202907D+01 -0.989292D+01  0.154375D+02
      5   0.107986D+01 -0.682682D+01 -0.153686D+02 -0.852471D+01 -0.205609D+02
      6  -0.541003D+01 -0.947119D+01 -0.316220D+01 -0.141663D+02  0.203112D+02
               141           142           143           144           145 
      1  -0.448539D+01 -0.380642D+00 -0.218272D+01 -0.103014D+02  0.557771D+01
      2   0.149910D+02  0.790885D+01  0.112980D+02  0.375466D+01 -0.205552D+01
      3  -0.105056D+02 -0.752821D+01 -0.911525D+01  0.654674D+01 -0.352219D+01
      4  -0.166433D+02 -0.737949D+00 -0.107954D+02 -0.378105D+01 -0.169853D+02
      5  -0.900344D+01 -0.207549D+02 -0.625697D+01 -0.108635D+02 -0.206568D+02
      6  -0.195156D+02 -0.220057D+01 -0.158130D+02 -0.845765D+01  0.843408D+00
               146           147           148           149           150 
      1  -0.180820D+02 -0.178518D+02 -0.233865D+02 -0.220814D+02 -0.810426D+01
      2   0.146933D+02  0.703262D+01  0.212723D+02 -0.271921D+00  0.685435D+01
      3   0.338867D+01  0.108192D+02  0.211424D+01  0.223533D+02  0.124991D+01
      4  -0.240967D+02 -0.322296D+01 -0.399050D+02  0.359660D+02 -0.177191D+02
      5  -0.351106D+01 -0.193349D+02 -0.562772D+01 -0.161045D+02 -0.121732D+02
      6  -0.194303D+01  0.759627D+00 -0.254742D+01  0.244591D+01 -0.101812D+01
               151           152           153           154           155 
      1  -0.238711D+02 -0.755508D+01 -0.203298D+02 -0.868873D+01  0.170319D+00
      2   0.694120D+01  0.649216D+01  0.175944D+02  0.168678D+01 -0.574751D+00
      3   0.169299D+02  0.106293D+01  0.273537D+01  0.700195D+01  0.404433D+00
      4  -0.458455D+01 -0.193691D+02 -0.100306D+02  0.563619D+01  0.401985D+00
      5  -0.265220D+02 -0.106932D+02  0.319605D+02 -0.151933D+02  0.189982D+01
      6   0.757321D+00  0.125466D+01 -0.379370D+01  0.182753D+01 -0.301948D+01
               156           157           158           159           160 
      1   0.851097D+01  0.179867D+01 -0.240090D+01 -0.110789D+01  0.472421D+01
      2   0.272809D+01 -0.191755D+01  0.121015D+01 -0.241970D+01  0.230735D+01
      3  -0.112391D+02  0.118886D+00  0.119075D+01  0.352759D+01 -0.703157D+01
      4  -0.976416D+00  0.169777D+01 -0.786240D+00  0.158393D+01 -0.103013D+01
      5   0.347600D+01  0.269482D+01  0.833610D+00  0.159900D+01  0.692930D+01
      6   0.202462D+01 -0.118605D+01 -0.102647D+01  0.383499D+01  0.377490D+00
               161           162           163           164           165 
      1  -0.937678D+00 -0.377368D+01  0.746140D+01  0.306408D+01  0.147114D+01
      2  -0.103240D+01 -0.246158D+01 -0.118499D+02 -0.458923D+01 -0.124053D+02
      3   0.197008D+01  0.623526D+01  0.438851D+01  0.152515D+01  0.109342D+02
      4  -0.369987D+00  0.133162D+01  0.614522D+01  0.649609D+01  0.429230D+01
      5   0.353760D+00 -0.386872D+01  0.187503D+02  0.770366D+01  0.214178D+02
      6   0.307572D+01  0.114046D+01  0.600510D+01  0.681942D+01  0.502127D+01
               166           167           168           169           170 
      1   0.416988D+01 -0.235733D+01 -0.412490D+01  0.549762D+00 -0.243514D+01
      2  -0.681941D+01 -0.237753D+01 -0.101164D+02 -0.100547D+02 -0.607866D+01
      3   0.264953D+01  0.473486D+01  0.142413D+02  0.950497D+01  0.851380D+01
      4   0.758922D+01  0.681077D+01  0.899042D+01  0.292157D+01  0.553949D+01
      5   0.120997D+02  0.117416D+02  0.158517D+02  0.171426D+02  0.840419D+01
      6   0.814931D+01  0.866658D+01  0.135929D+02  0.455707D+01  0.947620D+01
               171           172           173           174           175 
      1  -0.800946D+01 -0.114039D+00 -0.126835D+01  0.543240D-01 -0.548282D+00
      2  -0.180927D+02 -0.399914D-01 -0.921465D+00 -0.235507D+01 -0.220859D+01
      3   0.261022D+02  0.154031D+00  0.218981D+01  0.230075D+01  0.275687D+01
      4   0.638824D+01 -0.552232D+01  0.907073D+01 -0.405269D+01  0.111592D+02
      5   0.250481D+02  0.552171D+01 -0.540121D+01  0.821976D+01 -0.700267D+01
      6   0.105253D+02 -0.494314D+01  0.615410D+01 -0.305301D+01  0.871822D+01
               176           177           178           179           180 
      1  -0.160870D+02  0.121589D+02 -0.649504D+00  0.717678D+01 -0.733883D+01
      2   0.178596D+02 -0.433495D+01 -0.188343D+01 -0.125307D+01 -0.103787D+01
      3  -0.177259D+01 -0.782398D+01  0.253293D+01 -0.592371D+01  0.837670D+01
      4  -0.222439D+02  0.116497D+02 -0.207310D+01  0.580239D+01 -0.533818D+01
      5   0.133145D+02 -0.979222D+01  0.642205D+01 -0.521439D+01  0.796857D+01
      6  -0.315249D+02  0.223340D+02 -0.299321D+01  0.144935D+02 -0.114821D+02
               181           182           183           184           185 
      1   0.105395D+02  0.296420D+01 -0.997707D+01  0.624800D+01  0.308045D+01
      2  -0.839290D+01 -0.200702D+01  0.731953D+01 -0.447068D+01 -0.910236D+00
      3  -0.214663D+01 -0.957186D+00  0.265755D+01 -0.177732D+01 -0.217022D+01
      4   0.215297D+01  0.452497D+01  0.293857D+00  0.778901D+01 -0.121800D+01
      5  -0.122682D+02 -0.559679D+00  0.160960D+02 -0.199547D+01 -0.391033D+01
      6   0.689478D+00 -0.424665D+00 -0.111144D+01 -0.114709D+01 -0.638228D+00
               186           187           188           189           190 
      1  -0.384816D+00 -0.187407D+02  0.742948D+00  0.941555D+01  0.163182D+02
      2   0.132353D+01  0.144519D+02  0.791251D+00 -0.190081D+02 -0.373535D+01
      3  -0.938718D+00  0.428881D+01 -0.153420D+01  0.959258D+01 -0.125828D+02
      4  -0.411152D+01  0.178974D+01 -0.626233D+01  0.283787D+01 -0.157194D+02
      5   0.596019D+01  0.265649D+02  0.350803D+01 -0.486478D+02  0.432774D+01
      6   0.392309D+01 -0.200611D+01  0.378040D+01  0.441797D+01 -0.102789D+01
               191           192           193           194           195 
      1  -0.104686D+02  0.400248D+01 -0.199420D+02  0.848895D+01  0.473262D+00
      2   0.117942D+01 -0.142999D+01  0.590251D-01  0.168237D+02 -0.259674D+01
      3   0.928915D+01 -0.257250D+01  0.198830D+02 -0.253126D+02  0.212348D+01
      4   0.200217D+02 -0.271776D+01  0.371186D+02 -0.557260D+02  0.926139D+01
      5  -0.205606D+01  0.554901D+01 -0.225507D+01  0.784222D+01 -0.884179D+01
      6   0.659294D+00 -0.751332D+00  0.138243D+01 -0.228664D+01  0.621555D+01
               196           197           198           199           200 
      1   0.866703D+01 -0.910008D+00  0.389165D+01  0.507335D+02  0.164398D+02
      2  -0.267586D+01 -0.189425D+01 -0.130837D+01 -0.262954D+02 -0.886284D+01
      3  -0.599117D+01  0.280426D+01 -0.258328D+01 -0.244381D+02 -0.757695D+01
      4  -0.600822D+01  0.110114D+02 -0.704127D+01  0.167289D+02  0.151780D+02
      5   0.100083D+02 -0.693040D+01  0.259983D+01  0.180694D+02  0.660695D+01
      6  -0.313408D+01  0.581754D+01 -0.261625D+01  0.105093D+01  0.579389D+00
               201           202           203           204           205 
      1   0.162537D+02  0.321112D+02  0.152336D+02  0.812900D+01  0.286284D+02
      2  -0.913356D+01 -0.165408D+02 -0.418258D+01 -0.506257D+01 -0.160169D+02
      3  -0.712017D+01 -0.155705D+02 -0.110510D+02 -0.306643D+01 -0.126116D+02
      4   0.647426D+01  0.235896D+02  0.157647D+02  0.110479D+02  0.859278D+01
      5   0.147987D+02  0.105198D+02  0.100670D+02  0.125238D+02  0.214528D+02
      6  -0.105338D+00  0.198674D+01  0.182946D+01  0.262052D+01  0.119999D+01
               206           207           208           209           210 
      1   0.695172D+01  0.143039D+02 -0.162282D+01  0.187768D+01 -0.188153D+01
      2  -0.468115D+01 -0.114766D+02  0.371495D+01 -0.200760D+01  0.853825D+00
      3  -0.227058D+01 -0.282728D+01 -0.209213D+01  0.129919D+00  0.102770D+01
      4   0.121714D+02  0.873742D+01  0.100418D+01  0.751601D+01 -0.681530D+00
      5   0.895253D+01  0.156897D+02 -0.140660D+01  0.275403D+00  0.309274D+01
      6   0.222814D+01  0.210051D+01 -0.204186D+01  0.689887D+00  0.859865D+00
               211           212           213           214           215 
      1  -0.676590D+00 -0.251415D+02  0.449374D+01 -0.211366D+01  0.113593D+02
      2   0.254812D+01  0.417038D+02 -0.886369D+01 -0.898861D+00 -0.199567D+02
      3  -0.187152D+01 -0.165624D+02  0.436995D+01  0.301252D+01  0.859745D+01
      4   0.662488D+01  0.141590D+02 -0.209017D+01 -0.262230D+01 -0.641683D+01
      5   0.979283D-01 -0.177584D+01  0.256527D+01  0.309176D+01  0.420780D+01
      6  -0.294651D+00 -0.785535D+01  0.774408D+01  0.237752D+01  0.128396D+02
               216           217           218           219           220 
      1  -0.635764D+01  0.281578D+01 -0.268308D+01 -0.153860D+01 -0.306156D+01
      2   0.638716D+01 -0.443815D+01 -0.820701D-01 -0.269471D+01  0.207362D+01
      3  -0.295259D-01  0.162237D+01  0.276515D+01  0.423330D+01  0.987939D+00
      4   0.508975D+01  0.759082D+01  0.102019D+02  0.915038D+01  0.633399D+01
      5  -0.901988D+00  0.110347D+02  0.807885D+01  0.124738D+02  0.400798D+01
      6  -0.447832D+01  0.754008D+01  0.862980D+01  0.819286D+01  0.582543D+01
               221           222           223           224           225 
      1  -0.110366D+02 -0.680996D+01 -0.224993D+01 -0.107342D+02 -0.177470D+02
      2   0.894633D+01  0.252299D+01 -0.245036D+01 -0.720118D+00 -0.570710D+01
      3   0.209030D+01  0.428697D+01  0.470028D+01  0.114543D+02  0.234541D+02
      4   0.106414D+02  0.790753D+01  0.949975D+01  0.109132D+02  0.144878D+02
      5   0.799053D+01  0.716577D+01  0.124180D+02  0.132239D+02  0.215095D+02
      6   0.122212D+02  0.143743D+02  0.972365D+01  0.211218D+02  0.258327D+02
               226           227           228           229           230 
      1   0.185607D+02 -0.965277D+01 -0.378396D+01 -0.629383D+01 -0.345389D+01
      2  -0.391341D+01  0.216851D+00  0.172131D+01 -0.292079D+01  0.140139D+02
      3  -0.146472D+02  0.943592D+01  0.206265D+01  0.921462D+01 -0.105600D+02
      4  -0.289879D+02  0.235000D+02  0.106170D+02  0.206813D+02 -0.281847D+02
      5  -0.109499D+02  0.842241D+01  0.959267D+01  0.574173D+01 -0.820738D+01
      6   0.650109D+01 -0.706610D+01 -0.566019D+01 -0.549623D+01  0.968002D+01
               231           232           233           234 
      1  -0.153407D+01 -0.445396D+01  0.128432D+01  0.214383D+01
      2   0.301423D+01  0.161768D+01  0.403963D+01 -0.870365D+00
      3  -0.148016D+01  0.283627D+01 -0.532394D+01 -0.127347D+01
      4  -0.100249D+02  0.122887D+02 -0.148122D+02 -0.702122D+01
      5  -0.601891D+01  0.928203D+01 -0.449039D+01 -0.679974D+01
      6   0.686300D+01 -0.656507D+01  0.438050D+01  0.569827D+01
 Leave Link  716 at Fri Jul  9 23:15:03 2021, MaxMem= 17179869184 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.133056D+03  0.405871D+01  0.695063D+00
      2   0.405871D+01  0.122221D+03  0.238562D+01
      3   0.695063D+00  0.238562D+01  0.103254D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.833235D+00  0.287188D+00  0.297648D+01
      2   0.844299D+01 -0.776635D+01  0.103269D+02
      3   0.178419D+02  0.273017D+02  0.658037D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.188630D+02 -0.490375D+02  0.826973D+01
      2  -0.158737D+00  0.478863D+02 -0.119779D+02
      3   0.190218D+02  0.115119D+01  0.370818D+01
      4  -0.433964D+02 -0.476349D+02 -0.220308D+02
      5   0.219564D+02 -0.199656D+02  0.339093D+02
      6  -0.106807D+02  0.534094D+01 -0.200064D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.266771D+01 -0.559094D+00 -0.198559D+01  0.286437D+00 -0.205636D+01
      2  -0.559094D+00 -0.601730D+00 -0.140508D+01 -0.205636D+01 -0.465589D+01
      3  -0.198559D+01 -0.140508D+01 -0.456524D+01 -0.229745D+00 -0.550098D-01
                 6             7             8             9            10 
      1  -0.229745D+00 -0.400949D+01 -0.260908D+01 -0.437289D+01 -0.223689D+01
      2  -0.550098D-01 -0.260908D+01  0.180543D+01  0.107412D+01  0.103350D+01
      3   0.144695D+01 -0.437289D+01  0.107412D+01  0.448024D-01 -0.570035D-01
                11            12            13            14            15 
      1   0.103350D+01 -0.570035D-01  0.277228D+00 -0.190377D+01  0.146789D+01
      2  -0.129681D+01  0.317327D+01 -0.190377D+01  0.563678D+01  0.514106D+00
      3   0.317327D+01 -0.283662D+01  0.146789D+01  0.514106D+00  0.807870D+00
                16            17            18            19            20 
      1  -0.493515D+00  0.493011D+01 -0.232245D+01 -0.136068D+00 -0.111405D+01
      2   0.493011D+01  0.529600D+00  0.110159D+01 -0.111405D+01 -0.102477D+01
      3  -0.232245D+01  0.110159D+01  0.133469D-02  0.600694D+00  0.138777D+01
                21            22            23            24            25 
      1   0.600694D+00 -0.138970D+01  0.629544D+00  0.128470D+01  0.110346D+01
      2   0.138777D+01  0.629544D+00  0.979507D+01 -0.475513D+00  0.127621D+01
      3   0.186166D+01  0.128470D+01 -0.475513D+00  0.258592D+01  0.327958D+01
                26            27            28            29            30 
      1   0.127621D+01  0.327958D+01 -0.469950D+01 -0.247005D+01 -0.418449D+00
      2  -0.951655D+00  0.502740D+01 -0.247005D+01 -0.353162D+01 -0.984344D+00
      3   0.502740D+01  0.370831D+01 -0.418449D+00 -0.984344D+00 -0.133184D+01
                31            32            33            34            35 
      1  -0.335435D+01 -0.602413D+01 -0.230342D+01 -0.107423D+01 -0.169190D+01
      2  -0.602413D+01 -0.178029D+02 -0.518515D+00 -0.169190D+01 -0.167061D+01
      3  -0.230342D+01 -0.518515D+00 -0.402857D+01 -0.269422D+01 -0.303156D+01
                36            37            38            39            40 
      1  -0.269422D+01  0.297979D+01  0.630222D+00  0.882284D+00 -0.655362D+00
      2  -0.303156D+01  0.630222D+00  0.427200D+01  0.273615D+01  0.596269D+01
      3  -0.170209D+01  0.882284D+00  0.273615D+01  0.201864D+01  0.232905D+01
                41            42            43            44            45 
      1   0.596269D+01  0.232905D+01  0.152025D+01  0.250094D+01  0.424309D+01
      2   0.514803D+01 -0.302808D+01  0.250094D+01 -0.328776D+01  0.436350D+01
      3  -0.302808D+01  0.267876D+01  0.424309D+01  0.436350D+01  0.123438D+01
                46            47            48            49            50 
      1   0.508651D+01  0.161250D+01 -0.451760D+00  0.321317D+01  0.688126D+01
      2   0.161250D+01  0.683756D+01  0.277817D+01  0.688126D+01  0.145998D+02
      3  -0.451760D+00  0.277817D+01  0.157407D+01  0.278214D+01 -0.815582D+00
                51            52            53            54            55 
      1   0.278214D+01  0.534423D-02  0.324218D+01  0.184921D+01 -0.133009D+01
      2  -0.815582D+00  0.324218D+01 -0.103463D+01  0.346536D+01 -0.124043D+01
      3   0.325296D+01  0.184921D+01  0.346536D+01  0.203685D+01 -0.586783D+00
                56            57            58            59            60 
      1  -0.124043D+01 -0.586783D+00 -0.929322D+00 -0.345522D+01 -0.184077D+01
      2  -0.354490D+01 -0.259363D+01 -0.345522D+01 -0.907228D+01  0.120632D+01
      3  -0.259363D+01 -0.767423D+00 -0.184077D+01  0.120632D+01 -0.298962D+01
                61            62            63            64            65 
      1  -0.487053D+00 -0.244330D+01 -0.132302D+01  0.279125D+01  0.185583D+00
      2  -0.244330D+01  0.162854D+01 -0.605459D+01  0.185583D+00  0.154204D+01
      3  -0.132302D+01 -0.605459D+01 -0.183714D+01  0.397137D+01 -0.651178D+00
                66            67            68            69            70 
      1   0.397137D+01  0.371086D+00  0.520217D+01 -0.104662D+00  0.662904D+01
      2  -0.651178D+00  0.520217D+01 -0.424859D+01  0.262989D+01 -0.705072D+00
      3   0.441350D+01 -0.104662D+00  0.262989D+01  0.189786D+00  0.492584D+01
                71            72            73            74            75 
      1  -0.705072D+00  0.492584D+01  0.196875D+01 -0.134707D+01 -0.153051D+01
      2   0.235405D+01  0.186758D+00 -0.134707D+01  0.889764D+00  0.954814D+00
      3   0.186758D+00 -0.191458D+00 -0.153051D+01  0.954814D+00  0.262451D+01
                76            77            78            79            80 
      1  -0.130103D+01  0.580220D+00  0.586496D+00 -0.180231D+01  0.101299D+01
      2   0.580220D+00 -0.172178D+01 -0.208795D+01  0.101299D+01 -0.224584D+01
      3   0.586496D+00 -0.208795D+01 -0.284393D+01  0.215570D+01 -0.289941D+01
                81            82            83            84            85 
      1   0.215570D+01  0.384772D+01  0.186130D+01 -0.191885D+01  0.158297D+01
      2  -0.289941D+01  0.186130D+01  0.184942D+01 -0.176150D+01  0.136227D+01
      3  -0.628265D+01 -0.191885D+01 -0.176150D+01  0.245033D+01 -0.128781D+01
                86            87            88            89            90 
      1   0.136227D+01 -0.128781D+01 -0.240000D+01 -0.182212D+01  0.223193D+01
      2   0.334250D+01 -0.205885D+01 -0.182212D+01 -0.219241D+01  0.214550D+01
      3  -0.205885D+01  0.173621D+01  0.223193D+01  0.214550D+01 -0.332958D+01
                91            92            93            94            95 
      1  -0.458066D+01 -0.187713D+01 -0.227300D+01 -0.241501D+01 -0.286359D+01
      2  -0.187713D+01 -0.143857D+01 -0.120967D+01 -0.286359D+01 -0.306836D+01
      3  -0.227300D+01 -0.120967D+01 -0.187222D+01 -0.120376D+01 -0.115740D+01
                96            97            98            99           100 
      1  -0.120376D+01 -0.509774D+01 -0.272184D+01 -0.337773D+01 -0.602921D+01
      2  -0.115740D+01 -0.272184D+01 -0.220899D+01 -0.271895D+01  0.198771D+01
      3  -0.172892D+01 -0.337773D+01 -0.271895D+01 -0.451825D+01  0.161634D+01
               101           102           103           104           105 
      1   0.198771D+01  0.161634D+01  0.475006D+01 -0.207401D+01 -0.142979D+01
      2  -0.128490D+01 -0.689326D+00 -0.207401D+01  0.202291D+01  0.100474D+01
      3  -0.689326D+00 -0.132720D+01 -0.142979D+01  0.100474D+01  0.102402D+01
               106           107           108           109           110 
      1   0.237670D+01 -0.838287D+00 -0.201391D+01 -0.483198D+00 -0.889459D+00
      2  -0.838287D+00  0.933132D+00  0.418920D+00 -0.889459D+00  0.135833D-01
      3  -0.201391D+01  0.418920D+00  0.140528D+01  0.525354D+00 -0.270686D+00
               111           112           113           114           115 
      1   0.525354D+00 -0.280504D+01 -0.291363D+01  0.744780D+00  0.179782D+01
      2  -0.270686D+00 -0.291363D+01 -0.682646D+01  0.316691D+01  0.106720D+01
      3  -0.240207D+00  0.744780D+00  0.316691D+01 -0.255662D+01 -0.177562D+01
               116           117           118           119           120 
      1   0.106720D+01 -0.177562D+01  0.173416D+01  0.136828D+01  0.131250D+01
      2   0.378643D+01 -0.337695D+01  0.136828D+01  0.184881D+01  0.135101D+01
      3  -0.337695D+01  0.304735D+01  0.131250D+01  0.135101D+01  0.119147D+01
               121           122           123           124           125 
      1   0.129098D+01  0.170396D+01  0.776777D+00  0.252116D+01  0.158134D+01
      2   0.170396D+01  0.604105D+01  0.228756D+01  0.158134D+01  0.459659D+01
      3   0.776777D+00  0.228756D+01  0.205048D+01  0.142277D+01  0.435587D+01
               126           127           128           129           130 
      1   0.142277D+01 -0.470270D+00  0.121297D+01 -0.690775D+00  0.168612D+01
      2   0.435587D+01  0.121297D+01 -0.977030D+00  0.689577D+00  0.509239D+00
      3   0.458034D+01 -0.690775D+00  0.689577D+00 -0.132665D+00  0.224258D+00
               131           132           133           134           135 
      1   0.509239D+00  0.224258D+00 -0.136850D+01  0.335619D+00  0.223795D+00
      2   0.106000D+02 -0.347007D+01  0.335619D+00 -0.525534D+01  0.387103D+01
      3  -0.347007D+01  0.208210D+01  0.223795D+00  0.387103D+01 -0.237011D+01
               136           137           138           139           140 
      1   0.531363D+01 -0.193419D+01 -0.246540D+01 -0.229707D+01 -0.300189D+01
      2  -0.193419D+01 -0.194210D+01 -0.704716D+00 -0.300189D+01  0.475054D+01
      3  -0.246540D+01 -0.704716D+00 -0.314628D+01 -0.740840D+00 -0.476638D+01
               141           142           143           144           145 
      1  -0.740840D+00 -0.305863D+01 -0.381948D+00 -0.340884D+01 -0.176297D+00
      2  -0.476638D+01 -0.381948D+00 -0.341238D+01 -0.128004D+01 -0.174058D+01
      3  -0.169499D+01 -0.340884D+01 -0.128004D+01  0.174321D-01 -0.287494D+01
               146           147           148           149           150 
      1  -0.174058D+01 -0.287494D+01 -0.214210D+01 -0.558981D+01 -0.604707D+00
      2  -0.327875D+01 -0.401806D+00 -0.558981D+01  0.525241D+01 -0.244054D+01
      3  -0.401806D+00 -0.247309D+01 -0.604707D+00 -0.244054D+01 -0.177104D+01
               151           152           153           154           155 
      1  -0.331734D+01 -0.606038D+00 -0.380382D+01 -0.728007D+01  0.100464D+01
      2  -0.606038D+00 -0.288494D+01 -0.165067D+01  0.100464D+01 -0.699373D+00
      3  -0.380382D+01 -0.165067D+01  0.502877D+01  0.931339D+00  0.363144D+00
               156           157           158           159           160 
      1   0.931339D+00  0.132965D+01 -0.384154D+00  0.173504D+00  0.100505D+01
      2   0.363144D+00 -0.384154D+00 -0.228495D+00  0.669892D+00  0.120594D+00
      3  -0.209893D+01  0.173504D+00  0.669892D+00  0.681789D+00 -0.120071D+01
               161           162           163           164           165 
      1   0.120594D+00 -0.120071D+01  0.257723D+01  0.127911D+01  0.264562D+01
      2   0.591166D+00  0.376640D+00  0.127911D+01  0.126609D+01  0.948142D+00
      3   0.376640D+00  0.898560D+00  0.264562D+01  0.948142D+00  0.342606D+01
               166           167           168           169           170 
      1   0.197142D+01  0.157678D+01  0.155672D+01  0.197675D+01  0.786523D+00
      2   0.157678D+01  0.154596D+01  0.238492D+01  0.786523D+00  0.147962D+01
      3   0.155672D+01  0.238492D+01  0.351255D+01  0.260579D+01  0.178626D+01
               171           172           173           174           175 
      1   0.260579D+01  0.681128D+00 -0.113520D+01  0.117536D+01 -0.142030D+01
      2   0.178626D+01 -0.113520D+01  0.134039D+01 -0.543712D+00  0.192678D+01
      3   0.532078D+01  0.117536D+01 -0.543712D+00  0.123524D+01 -0.834217D+00
               176           177           178           179           180 
      1   0.192678D+01 -0.834217D+00  0.672881D+00 -0.379455D+00  0.952059D+00
      2  -0.688986D+01  0.380182D+01 -0.379455D+00  0.191198D+01 -0.176654D+01
      3   0.380182D+01 -0.323840D+01  0.952059D+00 -0.176654D+01  0.222325D+01
               181           182           183           184           185 
      1   0.128612D+01  0.409285D+00 -0.150734D+01  0.871863D+00  0.952740D+00
      2   0.409285D+00  0.502886D+00 -0.569127D-02  0.952740D+00 -0.181440D+00
      3  -0.150734D+01 -0.569127D-02  0.158084D+01 -0.223617D+00 -0.614665D+00
               186           187           188           189           190 
      1  -0.223617D+00 -0.320399D+01  0.108349D+00  0.313954D+01  0.248304D+01
      2  -0.614665D+00  0.108349D+00 -0.790956D+00  0.523388D+00 -0.179234D+01
      3   0.864782D+00  0.313954D+01  0.523388D+00 -0.698901D+01  0.654226D+00
               191           192           193           194           195 
      1  -0.179234D+01  0.654226D+00 -0.419974D+01  0.443523D+01 -0.402351D+00
      2   0.182778D+01 -0.276067D+00  0.443523D+01 -0.767465D+01  0.128948D+01
      3  -0.276067D+00  0.472157D+00 -0.402351D+00  0.128948D+01 -0.114861D+01
               196           197           198           199           200 
      1   0.157607D+01 -0.732532D+00  0.127084D+01  0.639513D+01  0.199255D+01
      2  -0.732532D+00  0.148105D+01 -0.102787D+01  0.199255D+01  0.157890D+01
      3   0.127084D+01 -0.102787D+01  0.380915D+00  0.216625D+01  0.768442D+00
               201           202           203           204           205 
      1   0.216625D+01  0.451344D+01  0.279997D+01  0.128821D+01  0.423764D+01
      2   0.768442D+00  0.279997D+01  0.187732D+01  0.141980D+01  0.103424D+01
      3   0.155251D+01  0.128821D+01  0.141980D+01  0.159515D+01  0.257531D+01
               206           207           208           209           210 
      1   0.103424D+01  0.257531D+01  0.888275D-01 -0.103879D+01  0.382520D+00
      2   0.149493D+01  0.117179D+01 -0.103879D+01  0.234852D-01 -0.391927D+00
      3   0.117179D+01  0.191372D+01  0.382520D+00 -0.391927D+00 -0.244636D+00
               211           212           213           214           215 
      1  -0.163175D+01 -0.580570D+00  0.121281D-01  0.140998D+01  0.141421D+00
      2  -0.580570D+00 -0.927513D+01  0.167467D+01  0.141421D+00  0.414597D+01
      3   0.121281D-01  0.167467D+01 -0.143469D+01 -0.636263D+00 -0.259412D+01
               216           217           218           219           220 
      1  -0.636263D+00 -0.198139D+01 -0.101085D+01 -0.192955D+01 -0.684931D+00
      2  -0.259412D+01 -0.101085D+01 -0.168932D+01 -0.171638D+01 -0.114356D+01
      3   0.974891D+00 -0.192955D+01 -0.171638D+01 -0.204107D+01 -0.919239D+00
               221           222           223           224           225 
      1  -0.114356D+01 -0.919239D+00 -0.270359D+01 -0.145343D+01 -0.234904D+01
      2  -0.385802D+01 -0.230991D+01 -0.145343D+01 -0.296570D+01 -0.423843D+01
      3  -0.230991D+01 -0.227819D+01 -0.234904D+01 -0.423843D+01 -0.662182D+01
               226           227           228           229           230 
      1  -0.516193D+01  0.357157D+01  0.182610D+01  0.308127D+01 -0.253214D+01
      2   0.357157D+01 -0.248286D+01 -0.154479D+01 -0.253214D+01  0.489147D+01
      3   0.182610D+01 -0.154479D+01 -0.132358D+01 -0.110174D+01  0.174838D+01
               231           232           233           234 
      1  -0.110174D+01  0.218423D+01 -0.175271D+01 -0.159695D+01
      2   0.174838D+01 -0.175271D+01  0.216275D+01  0.770974D+00
      3   0.120426D+01 -0.159695D+01  0.770974D+00  0.102514D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.103574D+01  0.622870D+00 -0.122663D+01  0.974546D+00  0.105924D+02
      2  -0.308818D+01 -0.703398D-01 -0.381850D+01 -0.759283D+00 -0.434533D+01
      3   0.306299D+00 -0.300478D+01  0.195775D+01  0.749755D+01  0.899933D+01
                 6             7             8             9            10 
      1  -0.112931D+01  0.177138D+01  0.202406D+01  0.170889D+00 -0.992214D+00
      2  -0.417704D+00 -0.138189D+02 -0.347653D+01 -0.645872D+01 -0.184632D+01
      3   0.337247D+01  0.662871D+01  0.804109D-01  0.423175D+01 -0.122625D+01
                11            12            13            14            15 
      1  -0.419302D+01 -0.429974D+00 -0.215478D+01 -0.966822D+01 -0.454336D+01
      2   0.419813D+01 -0.130312D+01  0.280023D+01  0.425278D+00  0.247758D+01
      3  -0.538719D+01 -0.362467D+01  0.748110D+01 -0.127684D+02  0.253796D+01
                16            17            18            19            20 
      1  -0.452986D+01  0.168431D+01 -0.221632D+01  0.185405D+01  0.398779D+01
      2  -0.660843D+01  0.686770D+01 -0.870997D+00 -0.262685D+01 -0.106148D+01
      3  -0.741588D+01  0.416126D+01 -0.532877D+01 -0.995352D+00 -0.468872D+01
                21            22            23            24            25 
      1   0.239322D+01  0.223939D+01 -0.104598D+02  0.477720D+01  0.467020D+01
      2   0.479009D+00 -0.253075D+01 -0.666483D-01 -0.358815D+01 -0.599295D+01
      3   0.302671D+00  0.537200D+01  0.139943D+02 -0.145952D+01  0.172570D+01
                26            27            28            29            30 
      1   0.180707D+02  0.386084D+01 -0.158737D+00 -0.831406D+00  0.121759D+00
      2  -0.485403D+01 -0.167429D+01 -0.111825D+01  0.604432D+01  0.341821D+01
      3  -0.338354D+01  0.270767D+01 -0.109062D+02 -0.198242D+02 -0.491382D+01
                31            32            33            34            35 
      1   0.336479D+00 -0.362386D+01  0.663443D+00  0.114341D+01  0.103101D+02
      2   0.808707D+01  0.295064D+01  0.107764D+02 -0.307715D+01  0.694624D+01
      3  -0.143907D+02 -0.432317D+02 -0.270291D+01 -0.746583D+01 -0.439529D+01
                36            37            38            39            40 
      1   0.202862D+01  0.140253D+01  0.465100D+01  0.429453D+01  0.390244D+01
      2   0.577349D+01 -0.479747D+01 -0.117851D+02 -0.530726D+01 -0.853881D+01
      3  -0.759879D+01 -0.321910D+01  0.123848D+02  0.947942D+01  0.260767D+02
                41            42            43            44            45 
      1  -0.290487D+01  0.149990D+01  0.830842D+01  0.899281D+01  0.260669D+01
      2   0.104104D+02 -0.104910D+02 -0.207182D+02 -0.203318D+02 -0.600973D+01
      3   0.149973D+02 -0.138859D+02  0.716514D+01 -0.163905D+02  0.124311D+02
                46            47            48            49            50 
      1  -0.383741D+00 -0.257753D+01 -0.148293D+01 -0.156119D+01  0.505630D+01
      2  -0.242896D+01 -0.444426D+01 -0.301829D+01 -0.359922D+01 -0.921854D+00
      3   0.445147D+01  0.801609D+01  0.424949D+01  0.188873D+02  0.459935D+02
                51            52            53            54            55 
      1  -0.428115D+01  0.208486D-01  0.118738D+01 -0.919937D+00  0.154227D+01
      2  -0.882904D+01 -0.135838D+02 -0.106620D+02 -0.433313D+01 -0.177861D+01
      3   0.311371D+01  0.621908D+01  0.361198D+01  0.972329D+01 -0.409158D+01
                56            57            58            59            60 
      1   0.710406D+01  0.229958D+01  0.431474D+01 -0.527917D+01  0.677881D+01
      2   0.833808D+00  0.144111D+01  0.893573D+00  0.769677D+00  0.315339D+00
      3  -0.947522D+01 -0.307315D+01 -0.789175D+00 -0.129737D+02 -0.334341D+01
                61            62            63            64            65 
      1   0.606346D+01  0.232627D+02  0.669092D+01  0.222736D+01  0.312211D+01
      2  -0.272560D+01 -0.179091D+01  0.566229D+00  0.141250D+02 -0.312240D+01
      3  -0.504267D+01 -0.619746D+01 -0.544900D+01 -0.318297D+00 -0.953186D+01
                66            67            68            69            70 
      1   0.195821D+01 -0.401035D+01  0.977194D+00 -0.530799D+01  0.428035D+00
      2   0.151591D+02 -0.942424D-01  0.691580D+01  0.126373D+01  0.370704D+01
      3   0.567280D+00 -0.637523D+01  0.842253D+01 -0.580363D+01 -0.825461D+00
                71            72            73            74            75 
      1   0.633985D+01 -0.446316D+00  0.492392D+00 -0.773515D+00  0.122787D+01
      2   0.127559D+01 -0.247994D+01  0.310274D+01 -0.113941D+01  0.132166D+01
      3  -0.618667D+01 -0.230898D+01 -0.779101D+00 -0.138858D+01  0.431510D+00
                76            77            78            79            80 
      1  -0.114001D+00  0.131418D+01 -0.752729D+00  0.610598D+00  0.358223D+01
      2  -0.181384D+01 -0.105259D+01 -0.189022D+01 -0.382989D+01 -0.539654D+00
      3   0.288803D+01  0.660375D+00  0.126638D+01  0.189286D+01  0.216185D+01
                81            82            83            84            85 
      1  -0.148752D+01  0.113962D+01 -0.268136D+00 -0.200776D+01  0.180803D+00
      2  -0.140258D+01  0.252108D+01 -0.465163D+00  0.271166D+01  0.173190D-02
      3   0.485411D+00  0.380036D+01 -0.190930D+01 -0.459599D+00  0.280766D+01
                86            87            88            89            90 
      1  -0.166529D+01 -0.168752D+01 -0.143885D+01  0.152130D+01  0.293303D+01
      2  -0.959082D+00  0.121680D+01 -0.220735D+01 -0.162849D-01 -0.200899D+01
      3  -0.267877D+01  0.929169D+00 -0.173593D+01  0.150673D+01  0.105016D+01
                91            92            93            94            95 
      1  -0.323156D+01 -0.139484D+01 -0.283096D+01 -0.211784D+01 -0.107382D+01
      2   0.786208D+01  0.460405D+01  0.849319D+01  0.454382D+01  0.444394D+01
      3  -0.238021D+01 -0.574308D+01 -0.264745D+01 -0.645391D+01 -0.908160D+01
                96            97            98            99           100 
      1  -0.327026D+01 -0.468153D+01 -0.233234D+01 -0.569171D+01  0.231309D+01
      2   0.718251D+01  0.105353D+02  0.102602D+02  0.175899D+02 -0.419193D+01
      3  -0.286752D+01 -0.382325D+01 -0.603141D+01 -0.682720D+01  0.117990D+02
               101           102           103           104           105 
      1  -0.175469D+01 -0.101548D+01 -0.165277D+01  0.247733D+01 -0.246332D+00
      2   0.218078D+01  0.630291D+01  0.349253D+01 -0.340644D+01 -0.448426D+01
      3  -0.839752D+01 -0.419706D+01 -0.840993D+01  0.108154D+02  0.482893D+01
               106           107           108           109           110 
      1  -0.201658D+01  0.161537D+01  0.836958D+00 -0.118583D+00 -0.824112D+00
      2   0.481831D+01 -0.134512D+01 -0.495408D+01 -0.175918D+01  0.187309D+01
      3  -0.474592D+01  0.537882D+01  0.282662D+01 -0.299778D+01 -0.622766D+00
               111           112           113           114           115 
      1  -0.450768D+00  0.747397D+00  0.734963D+00 -0.395684D+01 -0.232005D+01
      2   0.120247D+01 -0.108014D+01 -0.107930D+02  0.956154D+01  0.361280D+01
      3  -0.137423D+01 -0.561193D+01 -0.226199D+02  0.109255D+02  0.130361D+01
               116           117           118           119           120 
      1  -0.148989D+01  0.322705D+01 -0.431522D+01 -0.347623D+01 -0.395736D+01
      2   0.115499D+02 -0.105085D+02 -0.138457D+01 -0.108865D+01  0.838601D+00
      3   0.139209D+02 -0.105867D+02  0.586298D+01  0.190035D+01  0.379487D+01
               121           122           123           124           125 
      1  -0.152867D+01 -0.488213D+01 -0.675043D+01 -0.391667D+01 -0.965270D+01
      2  -0.795281D+00 -0.953804D+00  0.852599D-01 -0.225558D+01 -0.677704D+00
      3   0.581270D+01  0.613647D+01  0.239959D+01  0.948120D+01  0.512988D+01
               126           127           128           129           130 
      1  -0.133920D+02  0.147962D+01 -0.206798D+01  0.137363D+00  0.215871D+00
      2  -0.948948D+00  0.594120D+00  0.880900D+00  0.104079D+01  0.366619D+00
      3   0.447496D+01 -0.117137D+01  0.118760D+01 -0.140131D+01  0.766782D+01
               131           132           133           134           135 
      1   0.692436D+01 -0.708809D+01 -0.212898D+01 -0.752388D+01  0.617674D+01
      2  -0.797444D+00 -0.481157D-01 -0.183373D+01  0.120751D+00 -0.742403D-01
      3   0.486106D+01 -0.183803D+00 -0.431285D+01 -0.230042D+00  0.202657D+01
               136           137           138           139           140 
      1  -0.702618D+01 -0.480957D+01 -0.290128D+01 -0.727588D+01  0.825483D+01
      2  -0.178254D+02  0.312368D+01  0.537901D+01  0.380319D+01 -0.239151D+01
      3   0.117299D+00  0.177494D+01  0.260346D+01  0.874187D+01 -0.637065D+01
               141           142           143           144           145 
      1  -0.150272D+02 -0.259800D+01 -0.748068D+01 -0.360149D+01 -0.148718D+01
      2  -0.864959D+00  0.614074D+00 -0.116816D+01  0.589412D+01 -0.102469D+02
      3   0.800331D+01  0.252527D+01  0.567566D+01  0.376680D+01  0.738522D+01
               146           147           148           149           150 
      1  -0.238311D+00 -0.206826D+01  0.488321D+00 -0.223853D+01 -0.239263D+01
      2  -0.163244D+01 -0.997454D+01 -0.237734D+01 -0.103520D+02 -0.622632D+01
      3   0.131927D+02  0.295403D+01  0.258555D+02 -0.170379D+02  0.962535D+01
               151           152           153           154           155 
      1  -0.279181D+01  0.156562D+01  0.333922D+01  0.418056D+01 -0.255578D+01
      2  -0.196126D+02 -0.535454D+01  0.180753D+02  0.226684D+02 -0.301317D+01
      3   0.359466D+01  0.986086D+01  0.792154D+01  0.301301D+01 -0.132095D+01
               156           157           158           159           160 
      1  -0.254588D+00 -0.223546D+01  0.505261D+00  0.255570D+00 -0.731894D+00
      2  -0.166257D+01 -0.384443D+01  0.158718D+01  0.939849D-01 -0.490666D+01
      3  -0.359327D+00  0.197653D+01  0.703936D-01 -0.516530D+00 -0.312437D+00
               161           162           163           164           165 
      1   0.161208D+01  0.880977D+00  0.399638D+01  0.484834D+01  0.291498D+01
      2   0.340838D+00  0.266275D+01 -0.140643D+01 -0.113812D+01  0.212376D+01
      3   0.361312D+00  0.179885D+00 -0.214448D+01 -0.393840D+01 -0.226977D+01
               166           167           168           169           170 
      1   0.409932D+01  0.562205D+01  0.522431D+01  0.307756D+01  0.622432D+01
      2  -0.290712D+01  0.767593D+00  0.297877D+01 -0.287330D+01  0.792567D+00
      3  -0.151603D+01 -0.355870D+01 -0.412321D+01 -0.133341D+01 -0.345513D+01
               171           172           173           174           175 
      1   0.589586D+01 -0.999076D+00  0.282578D+01  0.454260D+00  0.346621D+01
      2   0.339686D+01  0.800022D+00  0.666959D+00  0.718282D+00  0.284964D+01
      3  -0.360917D+01  0.955570D+00 -0.236932D+01  0.308357D+00  0.114108D+01
               176           177           178           179           180 
      1  -0.137011D+02  0.294420D+01 -0.493621D+00  0.478650D+01 -0.186542D+01
      2   0.279933D+01 -0.417819D+01 -0.162845D+01 -0.142012D+01  0.179459D+01
      3   0.996185D+01 -0.527763D+01 -0.696948D+00 -0.280204D+01  0.208483D+01
               181           182           183           184           185 
      1  -0.103002D+01 -0.579475D+00  0.885104D+00 -0.122006D+00 -0.452782D+00
      2  -0.518830D+01  0.153094D+00  0.639526D+01  0.847580D-01 -0.144794D+01
      3  -0.192460D+01 -0.247459D+01  0.945058D+00 -0.226306D+01 -0.103409D+00
               186           187           188           189           190 
      1  -0.243343D+00  0.136601D+01  0.319036D+01 -0.372195D+01  0.504877D+00
      2   0.315525D+01  0.610878D+01  0.223034D+01 -0.247647D+02  0.241575D+01
      3   0.209468D+01  0.919440D+00  0.392035D+01 -0.339138D+01  0.489285D+01
               191           192           193           194           195 
      1  -0.378967D+00  0.105948D+01 -0.338350D+00  0.135666D+01 -0.368684D+01
      2  -0.140503D+01  0.335387D+01 -0.153694D+01  0.524530D+01 -0.531451D+01
      3  -0.744716D+01  0.790937D+00 -0.100479D+02  0.260952D+02 -0.460439D+01
               196           197           198           199           200 
      1   0.753594D+00  0.147794D+00  0.701185D+00  0.122870D+01  0.861839D+00
      2   0.313700D+01 -0.313321D+01  0.137212D+01  0.774854D+01  0.312104D+01
      3   0.906945D+00 -0.520533D+01  0.254184D+01 -0.100224D+02 -0.877804D+01
               201           202           203           204           205 
      1   0.152519D+00  0.751349D+00  0.111067D+01 -0.750435D+00  0.110322D+01
      2   0.829771D+01  0.435609D+01  0.541178D+01  0.703925D+01  0.734749D+01
      3  -0.403674D+01 -0.100077D+02 -0.900082D+01 -0.585243D+01 -0.503456D+01
               206           207           208           209           210 
      1   0.169886D+01  0.111690D+00  0.221641D+01 -0.994527D+00  0.797439D-01
      2   0.438180D+01  0.760725D+01 -0.636335D+00  0.589331D+00  0.172230D+01
      3  -0.724235D+01 -0.540279D+01 -0.188069D+01  0.516649D+00 -0.147130D+01
               211           212           213           214           215 
      1   0.602815D+00  0.105707D+02 -0.681746D+01 -0.127479D+01 -0.771899D+01
      2  -0.103608D+01 -0.283462D+01  0.170693D+01  0.720990D+00  0.313486D+01
      3   0.576561D+01 -0.108378D+02  0.158633D+01 -0.438428D+01  0.549451D+01
               216           217           218           219           220 
      1   0.513170D+01 -0.233334D+01 -0.172715D+01 -0.269237D+01 -0.392946D+00
      2  -0.203369D+01 -0.391653D+00  0.797802D+00  0.166553D+01 -0.560195D+00
      3  -0.214178D+01  0.275176D+01 -0.264473D+01  0.301545D+00  0.198961D+01
               221           222           223           224           225 
      1   0.577415D+00 -0.317312D+01 -0.162979D+01 -0.289167D+01 -0.794351D+01
      2   0.150413D+01  0.173932D+01 -0.341883D+01  0.323107D+01  0.517231D+01
      3  -0.391119D+01 -0.982953D+00  0.365911D+01 -0.181415D+01 -0.192369D+01
               226           227           228           229           230 
      1  -0.146626D+01  0.142146D+01  0.333975D+01  0.842361D+00 -0.131754D+01
      2  -0.780235D+00  0.249133D+01  0.464477D+01  0.194424D+00 -0.290879D+01
      3  -0.330319D+01 -0.112752D+01 -0.645289D-01  0.241581D+01  0.519526D+01
               231           232           233           234 
      1  -0.266340D+01  0.326044D+01  0.237470D+01 -0.209962D+01
      2  -0.326017D+01  0.197845D+01  0.160967D+01 -0.173143D+01
      3   0.126952D+01  0.110768D+01  0.206934D+01 -0.188417D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.127732D+02 -0.590972D+01 -0.995500D+01 -0.545268D+01 -0.265428D+01
      2   0.856845D+01  0.247385D+01  0.838673D+00  0.750315D+00  0.768680D+01
      3   0.420475D+01  0.343586D+01  0.911632D+01  0.470236D+01 -0.503252D+01
      4   0.133729D+01 -0.102642D+01 -0.262922D+01 -0.256408D+01 -0.294349D+01
      5  -0.262951D+00 -0.500248D+01 -0.996687D+01  0.593608D+00  0.480225D+00
      6  -0.232169D+01  0.741987D+00  0.528766D+01  0.323793D+01  0.380043D+01
                 6             7             8             9            10 
      1   0.585215D+01 -0.206149D+02 -0.924469D+00 -0.283061D+01 -0.664836D+01
      2  -0.199296D+01  0.653010D+01  0.288681D+01  0.604696D+01  0.585255D+01
      3  -0.385919D+01  0.140848D+02 -0.196234D+01 -0.321636D+01  0.795812D+00
      4   0.313244D+00 -0.571392D+01  0.640278D+01  0.845084D+01 -0.116009D+01
      5   0.575325D+01 -0.802224D+01  0.707837D+01  0.860166D+01  0.445151D+01
      6  -0.446728D+01  0.861560D+01 -0.373188D+01 -0.690764D+01  0.520138D+01
                11            12            13            14            15 
      1   0.723670D+01 -0.386290D+01  0.752864D+01 -0.108487D+02  0.637130D+00
      2  -0.195358D+00  0.301355D+01 -0.179636D+01  0.122986D+02  0.197555D+01
      3  -0.704134D+01  0.849356D+00 -0.573227D+01 -0.144991D+01 -0.261268D+01
      4  -0.653323D+01  0.101191D+02 -0.107790D+02  0.778820D+01  0.657819D+01
      5   0.840165D+01 -0.924966D+01  0.285414D+01  0.327639D+01 -0.331739D+01
      6   0.190090D+01 -0.642109D+01  0.649363D+01  0.169739D+01 -0.735232D+00
                16            17            18            19            20 
      1  -0.706472D+01  0.120461D+02 -0.673489D+01 -0.147875D-01  0.896453D+01
      2   0.457905D+01 -0.659842D+01  0.720680D+01  0.253597D+01 -0.227078D+01
      3   0.248567D+01 -0.544771D+01 -0.471911D+00 -0.252118D+01 -0.669375D+01
      4   0.171975D+02  0.537926D+01 -0.290177D+01  0.353590D+01  0.106577D+01
      5  -0.875735D+01 -0.398753D+01  0.452450D+01 -0.305544D+01 -0.314645D+01
      6  -0.691887D+01 -0.909240D+00  0.430406D+01 -0.757584D+00 -0.551022D+01
                21            22            23            24            25 
      1   0.639219D+01  0.140577D+02  0.202918D+02 -0.494645D+01  0.806891D+01
      2  -0.141819D+01 -0.761378D+01 -0.259081D+02  0.116764D+02 -0.351441D+00
      3  -0.497401D+01 -0.644392D+01  0.561633D+01 -0.672997D+01 -0.771747D+01
      4  -0.551226D+01 -0.115251D+01 -0.182010D+02 -0.566327D+01 -0.669012D+01
      5  -0.790572D+01 -0.524230D+01 -0.496823D+01 -0.969768D+01 -0.995385D+01
      6  -0.759549D+01 -0.450616D+01  0.206022D+01 -0.103737D+02 -0.109379D+02
                26            27            28            29            30 
      1  -0.434755D+01  0.955798D+01  0.176574D+02  0.115157D+02  0.151816D+01
      2   0.214754D+02 -0.185391D+01 -0.135601D+02 -0.669120D+01 -0.250995D+01
      3  -0.171278D+02 -0.770407D+01 -0.409730D+01 -0.482446D+01  0.991797D+00
      4  -0.721402D+01 -0.168091D+02  0.243729D+01  0.204997D+02  0.625776D+01
      5  -0.152771D+02 -0.149818D+02  0.437438D+01  0.476579D+01  0.690820D+01
      6  -0.218171D+02 -0.164766D+02  0.104219D+01 -0.220474D+00 -0.204208D+01
                31            32            33            34            35 
      1   0.118027D+02  0.299134D+02  0.100278D+02  0.785995D+01  0.871952D+01
      2  -0.903249D+01 -0.210711D+02 -0.377838D+01 -0.730335D+01 -0.681423D+01
      3  -0.277025D+01 -0.884225D+01 -0.624939D+01 -0.556599D+00 -0.190529D+01
      4   0.226545D+02  0.539928D+02  0.330421D+00  0.662965D+01  0.439421D+01
      5   0.812669D+01 -0.156261D+01  0.141894D+02  0.167568D+02  0.102136D+02
      6  -0.167815D+01  0.417752D+01  0.138104D+01 -0.171453D+00  0.991172D+01
                36            37            38            39            40 
      1   0.716948D+01 -0.194671D+02  0.321776D+01 -0.303075D+01  0.132900D+02
      2  -0.129735D+02  0.150761D+02 -0.309090D+01  0.227746D-01 -0.918183D+01
      3   0.580403D+01  0.439095D+01 -0.126861D+00  0.300798D+01 -0.410815D+01
      4   0.729607D+01  0.566674D+01 -0.226551D+02 -0.199592D+02 -0.354421D+02
      5   0.980354D+01 -0.584510D+01 -0.210913D+02 -0.168566D+02 -0.198963D+02
      6  -0.152901D+01 -0.811272D+01 -0.482287D+01 -0.445150D+01  0.191081D+01
                41            42            43            44            45 
      1  -0.235724D+02 -0.253435D+02 -0.106010D+02 -0.295476D+02 -0.188490D+02
      2   0.113199D+02  0.169575D+02  0.488704D+01  0.207592D+02  0.795226D+01
      3   0.122525D+02  0.838598D+01  0.571392D+01  0.878832D+01  0.108967D+02
      4  -0.266423D+02  0.161275D+02 -0.219762D+02  0.151866D+02 -0.276682D+02
      5   0.203079D+02 -0.195695D+02 -0.345911D+02 -0.321285D+02 -0.110099D+02
      6   0.114829D+02 -0.141131D+02 -0.113873D+02 -0.204307D+02 -0.821274D+00
                46            47            48            49            50 
      1  -0.192098D+02 -0.115286D+02 -0.144202D+01 -0.245729D+02 -0.409897D+02
      2   0.108839D+02  0.131984D+02  0.278678D+01  0.231931D+02  0.372208D+02
      3   0.832581D+01 -0.166988D+01 -0.134476D+01  0.137983D+01  0.376890D+01
      4   0.785925D+01 -0.179358D+02 -0.127849D+02 -0.240009D+02 -0.362101D+02
      5   0.976229D+01 -0.103800D+02 -0.372963D+01 -0.106683D+02  0.823876D+01
      6  -0.687427D+01  0.857574D+01  0.310249D+01  0.920965D+01 -0.116765D+02
                51            52            53            54            55 
      1  -0.511190D+01 -0.321258D+01 -0.852273D+01 -0.156491D+02  0.403933D+01
      2   0.643034D+00  0.365066D+01 -0.392251D+01  0.243791D+01 -0.302760D+01
      3   0.446887D+01 -0.438081D+00  0.124452D+02  0.132112D+02 -0.101173D+01
      4   0.105989D+02 -0.186416D+02  0.133680D+02 -0.880413D+01  0.887249D+00
      5  -0.114561D+02 -0.146320D+01 -0.894631D+01 -0.179111D+01 -0.333513D+01
      6   0.450630D+01  0.532956D+01  0.159922D+02  0.896897D+00 -0.219144D+01
                56            57            58            59            60 
      1   0.937484D+01  0.852397D+01  0.966244D+01  0.424870D+02 -0.438059D+01
      2  -0.109073D+02 -0.110626D+02 -0.106725D+02 -0.465797D+02  0.995084D+01
      3   0.153249D+01  0.253862D+01  0.101011D+01  0.409268D+01 -0.557025D+01
      4   0.239192D+01  0.158707D+00  0.717926D+01  0.328863D+01 -0.111512D+02
      5  -0.332337D+00 -0.362209D+01  0.665359D-01 -0.663810D+01  0.388153D+00
      6  -0.116089D+02 -0.330227D+01 -0.698899D+01  0.127782D+02 -0.187718D+02
                61            62            63            64            65 
      1   0.969428D+01 -0.779699D+01  0.248832D+02 -0.112892D+01  0.438325D+01
      2  -0.938015D+01  0.157934D+02 -0.277271D+02 -0.469395D+01 -0.445325D+01
      3  -0.314137D+00 -0.799642D+01  0.284390D+01  0.582287D+01  0.700018D-01
      4  -0.158998D+01 -0.145166D+02 -0.335206D+01  0.379039D+01  0.593846D+01
      5  -0.146167D+01 -0.356822D+01 -0.444984D+01  0.127688D+02 -0.443973D+00
      6  -0.994205D+01 -0.394205D+02 -0.777446D+01 -0.180088D+01  0.456252D+01
                66            67            68            69            70 
      1   0.121436D+02  0.610195D+01  0.141961D+02  0.838198D+00  0.221657D+02
      2  -0.897978D+01 -0.425295D+01 -0.882155D+01 -0.202801D+01 -0.145497D+02
      3  -0.316383D+01 -0.184900D+01 -0.537455D+01  0.118981D+01 -0.761605D+01
      4  -0.301183D+01  0.183688D+02 -0.155350D+02  0.775101D+01 -0.471524D+01
      5   0.144193D+02 -0.106688D+00  0.860134D+01  0.210943D+01  0.193549D+02
      6  -0.472112D+00  0.258285D+00 -0.550035D+01  0.301830D+01 -0.261280D+01
                71            72            73            74            75 
      1  -0.170704D+01  0.148622D+02  0.213499D+01  0.564850D+00  0.322295D+01
      2  -0.101199D+01 -0.116203D+02 -0.481621D+01  0.100708D+01  0.391780D+01
      3   0.271903D+01 -0.324181D+01  0.268122D+01 -0.157193D+01 -0.714075D+01
      4   0.699625D+01 -0.803940D+00 -0.691691D+01  0.716643D+01  0.531286D+01
      5   0.123336D+01 -0.223215D+01 -0.863304D+01  0.548214D+01  0.132531D+02
      6   0.474674D+01  0.109729D+01  0.544460D+01 -0.436542D+01 -0.611719D+01
                76            77            78            79            80 
      1   0.860924D+00 -0.915835D+01 -0.910759D+01  0.329909D+01 -0.815434D+01
      2   0.772190D+00  0.367963D+01  0.371783D+00  0.381548D+01 -0.151133D+01
      3  -0.163311D+01  0.547872D+01  0.873581D+01 -0.711457D+01  0.966567D+01
      4   0.443989D+01 -0.506746D+01 -0.590248D+01  0.505498D+01 -0.636749D+01
      5   0.447378D+01 -0.605417D+01 -0.726216D+01  0.981228D+01 -0.798406D+01
      6  -0.348191D+01  0.985219D+01  0.128886D+02 -0.545104D+01  0.129795D+02
                81            82            83            84            85 
      1  -0.186996D+02  0.933829D+01  0.740704D+00 -0.271924D+00 -0.126397D+01
      2  -0.973527D+01 -0.654732D+01  0.332075D+00  0.250350D+01  0.141498D+01
      3   0.284348D+02 -0.279097D+01 -0.107278D+01 -0.223158D+01 -0.151015D+00
      4  -0.928021D+01  0.146671D+02  0.134811D+02 -0.987020D+01  0.103709D+02
      5  -0.170426D+02 -0.130473D+02 -0.864357D+01  0.134756D+02 -0.668385D+01
      6   0.186074D+02 -0.891926D+01 -0.778730D+01  0.820163D+01 -0.673063D+01
                86            87            88            89            90 
      1  -0.654692D+01  0.352900D+01 -0.750061D+00  0.269469D+01 -0.559136D+01
      2   0.798503D+01 -0.195877D+01  0.311413D+01 -0.335352D+00 -0.393472D+01
      3  -0.143811D+01 -0.157024D+01 -0.236407D+01 -0.235934D+01  0.952608D+01
      4   0.139977D+02 -0.928779D+01 -0.972904D+01 -0.103293D+02  0.112571D+02
      5  -0.859764D+01  0.667717D+01  0.117740D+02  0.948625D+01 -0.136625D+02
      6  -0.123787D+02  0.113401D+02  0.914120D+01  0.126805D+02 -0.141662D+02
                91            92            93            94            95 
      1   0.352672D+02  0.122833D+02  0.160500D+02  0.136605D+02  0.117246D+02
      2  -0.191353D+02 -0.471033D+01 -0.818539D+01 -0.464699D+01 -0.246805D+01
      3  -0.161319D+02 -0.757299D+01 -0.786464D+01 -0.901351D+01 -0.925654D+01
      4   0.166107D+02  0.136315D+02  0.108490D+02  0.219023D+02  0.216004D+02
      5   0.203635D+02  0.107153D+02  0.182058D+02  0.107018D+02  0.924454D+01
      6   0.631958D+01  0.345224D+01  0.453586D+01  0.424950D+01  0.415732D+01
                96            97            98            99           100 
      1   0.711432D+01  0.336164D+02  0.148410D+02  0.158500D+02  0.517251D+02
      2  -0.213672D+01 -0.191083D+02 -0.709858D+01 -0.122940D+02 -0.300365D+02
      3  -0.497759D+01 -0.145081D+02 -0.774243D+01 -0.355600D+01 -0.216886D+02
      4   0.952889D+01  0.218178D+02  0.172292D+02  0.190054D+02 -0.156108D+02
      5   0.135229D+02  0.306554D+02  0.214145D+02  0.356247D+02 -0.166937D+02
      6   0.811068D+01  0.952781D+01  0.112115D+02  0.111071D+02  0.136933D+01
               101           102           103           104           105 
      1  -0.165555D+02 -0.125595D+02 -0.351332D+02  0.136406D+02  0.940377D+01
      2   0.103854D+02  0.910678D+01  0.202509D+02 -0.718349D+01 -0.743145D+01
      3   0.617005D+01  0.345274D+01  0.148823D+02 -0.645713D+01 -0.197232D+01
      4   0.124047D+02  0.545707D+01  0.186809D+02 -0.175495D+02 -0.768480D+01
      5   0.657672D+01  0.140142D+02  0.129837D+02 -0.827227D+01 -0.955774D+01
      6  -0.437540D+00  0.256790D+00 -0.182594D+01  0.183920D+01  0.311486D+01
               106           107           108           109           110 
      1  -0.176969D+02  0.666186D+01  0.110870D+02  0.376171D+01  0.724278D+01
      2   0.126443D+02 -0.583884D+01 -0.964945D+01 -0.188577D+01 -0.413640D+01
      3   0.505259D+01 -0.823016D+00 -0.143752D+01 -0.187594D+01 -0.310638D+01
      4   0.649659D+01 -0.710581D+01 -0.357704D+01  0.537477D+01  0.519111D+01
      5   0.185169D+02 -0.406728D+01 -0.121319D+02 -0.332096D+01 -0.318941D+00
      6  -0.495415D+00  0.398044D+01  0.110696D+01 -0.229165D+01  0.121797D+01
               111           112           113           114           115 
      1  -0.457055D+01  0.123214D+02 -0.262354D+01  0.627453D+01 -0.781137D+01
      2   0.209545D+01 -0.408152D+01  0.125475D+02 -0.572785D+01  0.431525D+01
      3   0.247510D+01 -0.823993D+01 -0.992399D+01 -0.546683D+00  0.349612D+01
      4  -0.711518D+00  0.211726D+02  0.405815D+02 -0.188189D+02 -0.841519D+01
      5   0.493560D+01 -0.699225D+01 -0.211688D+02  0.182107D+02  0.160574D+02
      6   0.595934D+00 -0.621796D+01 -0.184931D+02  0.139543D+02  0.728592D+01
               116           117           118           119           120 
      1   0.735127D+01 -0.175052D+01 -0.272535D+01 -0.634845D+01 -0.481714D+01
      2  -0.649742D+01 -0.172981D+01  0.284393D+01  0.813664D+01  0.481517D+01
      3  -0.853851D+00  0.348033D+01 -0.118579D+00 -0.178819D+01  0.196818D-02
      4  -0.226885D+02  0.198548D+02  0.614676D+01  0.866205D+01  0.537711D+01
      5   0.230950D+02 -0.199067D+02  0.253560D+01  0.348101D+01  0.531350D+01
      6   0.173694D+02 -0.137865D+02  0.741116D+01  0.755903D+01  0.619359D+01
               121           122           123           124           125 
      1  -0.536515D+01 -0.245793D+02 -0.939554D+01 -0.750186D+01 -0.193963D+02
      2   0.699311D+01  0.301837D+02  0.103025D+02  0.625505D+01  0.191135D+02
      3  -0.162795D+01 -0.560448D+01 -0.906958D+00  0.124681D+01  0.282806D+00
      4   0.383722D+01  0.423173D+01  0.372544D+01  0.594363D+01  0.614619D+01
      5   0.179884D+01  0.270972D+01  0.148613D+01  0.518666D+01  0.410491D+01
      6   0.460474D+01  0.153849D+02  0.152357D+02  0.822973D+01  0.282722D+02
               126           127           128           129           130 
      1  -0.203085D+02 -0.132600D+01  0.291140D+01 -0.216014D+01 -0.292193D+01
      2   0.146899D+02  0.468591D+01 -0.592575D+01  0.264632D+01  0.861741D+00
      3   0.561857D+01 -0.335991D+01  0.301435D+01 -0.486180D+00  0.206019D+01
      4   0.482499D+01 -0.389749D+01  0.111757D+02 -0.381409D+01  0.560242D+01
      5   0.333549D+01  0.232366D+01 -0.231030D+01  0.404623D+01 -0.176576D+01
      6   0.247567D+02 -0.455342D+01  0.513492D+01 -0.786936D+00  0.935903D+00
               131           132           133           134           135 
      1  -0.441781D+02  0.143146D+02 -0.242831D-01  0.237319D+02 -0.177294D+02
      2   0.620187D+02 -0.189547D+02  0.119158D+01 -0.289947D+02  0.165747D+02
      3  -0.178405D+02  0.464012D+01 -0.116730D+01  0.526283D+01  0.115467D+01
      4  -0.989397D+01  0.439808D+01 -0.370525D+01  0.570713D+01 -0.315331D+01
      5   0.317232D+01 -0.131267D+01  0.315615D+01 -0.167330D+01  0.231917D+01
      6  -0.286188D+02  0.171966D+02  0.175165D+01  0.287311D+02 -0.169163D+02
               136           137           138           139           140 
      1   0.151963D+02 -0.504326D+01  0.486068D+00 -0.770129D+01  0.717287D+01
      2  -0.129234D+00  0.709734D+01  0.830904D+01  0.113785D+02 -0.276269D+01
      3  -0.150671D+02 -0.205407D+01 -0.879511D+01 -0.367726D+01 -0.441017D+01
      4  -0.871281D+01 -0.405179D+01 -0.202907D+01 -0.989292D+01  0.154375D+02
      5   0.107986D+01 -0.682682D+01 -0.153686D+02 -0.852471D+01 -0.205609D+02
      6  -0.541003D+01 -0.947119D+01 -0.316220D+01 -0.141663D+02  0.203112D+02
               141           142           143           144           145 
      1  -0.448539D+01 -0.380642D+00 -0.218272D+01 -0.103014D+02  0.557771D+01
      2   0.149910D+02  0.790885D+01  0.112980D+02  0.375466D+01 -0.205552D+01
      3  -0.105056D+02 -0.752821D+01 -0.911525D+01  0.654674D+01 -0.352219D+01
      4  -0.166433D+02 -0.737949D+00 -0.107954D+02 -0.378105D+01 -0.169853D+02
      5  -0.900344D+01 -0.207549D+02 -0.625697D+01 -0.108635D+02 -0.206568D+02
      6  -0.195156D+02 -0.220057D+01 -0.158130D+02 -0.845765D+01  0.843408D+00
               146           147           148           149           150 
      1  -0.180820D+02 -0.178518D+02 -0.233865D+02 -0.220814D+02 -0.810426D+01
      2   0.146933D+02  0.703262D+01  0.212723D+02 -0.271921D+00  0.685435D+01
      3   0.338867D+01  0.108192D+02  0.211424D+01  0.223533D+02  0.124991D+01
      4  -0.240967D+02 -0.322296D+01 -0.399050D+02  0.359660D+02 -0.177191D+02
      5  -0.351106D+01 -0.193349D+02 -0.562772D+01 -0.161045D+02 -0.121732D+02
      6  -0.194303D+01  0.759627D+00 -0.254742D+01  0.244591D+01 -0.101812D+01
               151           152           153           154           155 
      1  -0.238711D+02 -0.755508D+01 -0.203298D+02 -0.868873D+01  0.170319D+00
      2   0.694120D+01  0.649216D+01  0.175944D+02  0.168678D+01 -0.574751D+00
      3   0.169299D+02  0.106293D+01  0.273537D+01  0.700195D+01  0.404433D+00
      4  -0.458455D+01 -0.193691D+02 -0.100306D+02  0.563619D+01  0.401985D+00
      5  -0.265220D+02 -0.106932D+02  0.319605D+02 -0.151933D+02  0.189982D+01
      6   0.757321D+00  0.125466D+01 -0.379370D+01  0.182753D+01 -0.301948D+01
               156           157           158           159           160 
      1   0.851097D+01  0.179867D+01 -0.240090D+01 -0.110789D+01  0.472421D+01
      2   0.272809D+01 -0.191755D+01  0.121015D+01 -0.241970D+01  0.230735D+01
      3  -0.112391D+02  0.118886D+00  0.119075D+01  0.352759D+01 -0.703157D+01
      4  -0.976416D+00  0.169777D+01 -0.786240D+00  0.158393D+01 -0.103013D+01
      5   0.347600D+01  0.269482D+01  0.833610D+00  0.159900D+01  0.692930D+01
      6   0.202462D+01 -0.118605D+01 -0.102647D+01  0.383499D+01  0.377490D+00
               161           162           163           164           165 
      1  -0.937678D+00 -0.377368D+01  0.746140D+01  0.306408D+01  0.147114D+01
      2  -0.103240D+01 -0.246158D+01 -0.118499D+02 -0.458923D+01 -0.124053D+02
      3   0.197008D+01  0.623526D+01  0.438851D+01  0.152515D+01  0.109342D+02
      4  -0.369987D+00  0.133162D+01  0.614522D+01  0.649609D+01  0.429230D+01
      5   0.353760D+00 -0.386872D+01  0.187503D+02  0.770366D+01  0.214178D+02
      6   0.307572D+01  0.114046D+01  0.600510D+01  0.681942D+01  0.502127D+01
               166           167           168           169           170 
      1   0.416988D+01 -0.235733D+01 -0.412490D+01  0.549762D+00 -0.243514D+01
      2  -0.681941D+01 -0.237753D+01 -0.101164D+02 -0.100547D+02 -0.607866D+01
      3   0.264953D+01  0.473486D+01  0.142413D+02  0.950497D+01  0.851380D+01
      4   0.758922D+01  0.681077D+01  0.899042D+01  0.292157D+01  0.553949D+01
      5   0.120997D+02  0.117416D+02  0.158517D+02  0.171426D+02  0.840419D+01
      6   0.814931D+01  0.866658D+01  0.135929D+02  0.455707D+01  0.947620D+01
               171           172           173           174           175 
      1  -0.800946D+01 -0.114039D+00 -0.126835D+01  0.543240D-01 -0.548282D+00
      2  -0.180927D+02 -0.399914D-01 -0.921465D+00 -0.235507D+01 -0.220859D+01
      3   0.261022D+02  0.154031D+00  0.218981D+01  0.230075D+01  0.275687D+01
      4   0.638824D+01 -0.552232D+01  0.907073D+01 -0.405269D+01  0.111592D+02
      5   0.250481D+02  0.552171D+01 -0.540121D+01  0.821976D+01 -0.700267D+01
      6   0.105253D+02 -0.494314D+01  0.615410D+01 -0.305301D+01  0.871822D+01
               176           177           178           179           180 
      1  -0.160870D+02  0.121589D+02 -0.649504D+00  0.717678D+01 -0.733883D+01
      2   0.178596D+02 -0.433495D+01 -0.188343D+01 -0.125307D+01 -0.103787D+01
      3  -0.177259D+01 -0.782398D+01  0.253293D+01 -0.592371D+01  0.837670D+01
      4  -0.222439D+02  0.116497D+02 -0.207310D+01  0.580239D+01 -0.533818D+01
      5   0.133145D+02 -0.979222D+01  0.642205D+01 -0.521439D+01  0.796857D+01
      6  -0.315249D+02  0.223340D+02 -0.299321D+01  0.144935D+02 -0.114821D+02
               181           182           183           184           185 
      1   0.105395D+02  0.296420D+01 -0.997707D+01  0.624800D+01  0.308045D+01
      2  -0.839290D+01 -0.200702D+01  0.731953D+01 -0.447068D+01 -0.910236D+00
      3  -0.214663D+01 -0.957186D+00  0.265755D+01 -0.177732D+01 -0.217022D+01
      4   0.215297D+01  0.452497D+01  0.293857D+00  0.778901D+01 -0.121800D+01
      5  -0.122682D+02 -0.559679D+00  0.160960D+02 -0.199547D+01 -0.391033D+01
      6   0.689478D+00 -0.424665D+00 -0.111144D+01 -0.114709D+01 -0.638228D+00
               186           187           188           189           190 
      1  -0.384816D+00 -0.187407D+02  0.742948D+00  0.941555D+01  0.163182D+02
      2   0.132353D+01  0.144519D+02  0.791251D+00 -0.190081D+02 -0.373535D+01
      3  -0.938718D+00  0.428881D+01 -0.153420D+01  0.959258D+01 -0.125828D+02
      4  -0.411152D+01  0.178974D+01 -0.626233D+01  0.283787D+01 -0.157194D+02
      5   0.596019D+01  0.265649D+02  0.350803D+01 -0.486478D+02  0.432774D+01
      6   0.392309D+01 -0.200611D+01  0.378040D+01  0.441797D+01 -0.102789D+01
               191           192           193           194           195 
      1  -0.104686D+02  0.400248D+01 -0.199420D+02  0.848895D+01  0.473262D+00
      2   0.117942D+01 -0.142999D+01  0.590251D-01  0.168237D+02 -0.259674D+01
      3   0.928915D+01 -0.257250D+01  0.198830D+02 -0.253126D+02  0.212348D+01
      4   0.200217D+02 -0.271776D+01  0.371186D+02 -0.557260D+02  0.926139D+01
      5  -0.205606D+01  0.554901D+01 -0.225507D+01  0.784222D+01 -0.884179D+01
      6   0.659294D+00 -0.751332D+00  0.138243D+01 -0.228664D+01  0.621555D+01
               196           197           198           199           200 
      1   0.866703D+01 -0.910008D+00  0.389165D+01  0.507335D+02  0.164398D+02
      2  -0.267586D+01 -0.189425D+01 -0.130837D+01 -0.262954D+02 -0.886284D+01
      3  -0.599117D+01  0.280426D+01 -0.258328D+01 -0.244381D+02 -0.757695D+01
      4  -0.600822D+01  0.110114D+02 -0.704127D+01  0.167289D+02  0.151780D+02
      5   0.100083D+02 -0.693040D+01  0.259983D+01  0.180694D+02  0.660695D+01
      6  -0.313408D+01  0.581754D+01 -0.261625D+01  0.105093D+01  0.579389D+00
               201           202           203           204           205 
      1   0.162537D+02  0.321112D+02  0.152336D+02  0.812900D+01  0.286284D+02
      2  -0.913356D+01 -0.165408D+02 -0.418258D+01 -0.506257D+01 -0.160169D+02
      3  -0.712017D+01 -0.155705D+02 -0.110510D+02 -0.306643D+01 -0.126116D+02
      4   0.647426D+01  0.235896D+02  0.157647D+02  0.110479D+02  0.859278D+01
      5   0.147987D+02  0.105198D+02  0.100670D+02  0.125238D+02  0.214528D+02
      6  -0.105338D+00  0.198674D+01  0.182946D+01  0.262052D+01  0.119999D+01
               206           207           208           209           210 
      1   0.695172D+01  0.143039D+02 -0.162282D+01  0.187768D+01 -0.188153D+01
      2  -0.468115D+01 -0.114766D+02  0.371495D+01 -0.200760D+01  0.853825D+00
      3  -0.227058D+01 -0.282728D+01 -0.209213D+01  0.129919D+00  0.102770D+01
      4   0.121714D+02  0.873742D+01  0.100418D+01  0.751601D+01 -0.681530D+00
      5   0.895253D+01  0.156897D+02 -0.140660D+01  0.275403D+00  0.309274D+01
      6   0.222814D+01  0.210051D+01 -0.204186D+01  0.689887D+00  0.859865D+00
               211           212           213           214           215 
      1  -0.676590D+00 -0.251415D+02  0.449374D+01 -0.211366D+01  0.113593D+02
      2   0.254812D+01  0.417038D+02 -0.886369D+01 -0.898861D+00 -0.199567D+02
      3  -0.187152D+01 -0.165624D+02  0.436995D+01  0.301252D+01  0.859745D+01
      4   0.662488D+01  0.141590D+02 -0.209017D+01 -0.262230D+01 -0.641683D+01
      5   0.979283D-01 -0.177584D+01  0.256527D+01  0.309176D+01  0.420780D+01
      6  -0.294651D+00 -0.785535D+01  0.774408D+01  0.237752D+01  0.128396D+02
               216           217           218           219           220 
      1  -0.635764D+01  0.281578D+01 -0.268308D+01 -0.153860D+01 -0.306156D+01
      2   0.638716D+01 -0.443815D+01 -0.820701D-01 -0.269471D+01  0.207362D+01
      3  -0.295259D-01  0.162237D+01  0.276515D+01  0.423330D+01  0.987939D+00
      4   0.508975D+01  0.759082D+01  0.102019D+02  0.915038D+01  0.633399D+01
      5  -0.901988D+00  0.110347D+02  0.807885D+01  0.124738D+02  0.400798D+01
      6  -0.447832D+01  0.754008D+01  0.862980D+01  0.819286D+01  0.582543D+01
               221           222           223           224           225 
      1  -0.110366D+02 -0.680996D+01 -0.224993D+01 -0.107342D+02 -0.177470D+02
      2   0.894633D+01  0.252299D+01 -0.245036D+01 -0.720118D+00 -0.570710D+01
      3   0.209030D+01  0.428697D+01  0.470028D+01  0.114543D+02  0.234541D+02
      4   0.106414D+02  0.790753D+01  0.949975D+01  0.109132D+02  0.144878D+02
      5   0.799053D+01  0.716577D+01  0.124180D+02  0.132239D+02  0.215095D+02
      6   0.122212D+02  0.143743D+02  0.972365D+01  0.211218D+02  0.258327D+02
               226           227           228           229           230 
      1   0.185607D+02 -0.965277D+01 -0.378396D+01 -0.629383D+01 -0.345389D+01
      2  -0.391341D+01  0.216851D+00  0.172131D+01 -0.292079D+01  0.140139D+02
      3  -0.146472D+02  0.943592D+01  0.206265D+01  0.921462D+01 -0.105600D+02
      4  -0.289879D+02  0.235000D+02  0.106170D+02  0.206813D+02 -0.281847D+02
      5  -0.109499D+02  0.842241D+01  0.959267D+01  0.574173D+01 -0.820738D+01
      6   0.650109D+01 -0.706610D+01 -0.566019D+01 -0.549623D+01  0.968002D+01
               231           232           233           234 
      1  -0.153407D+01 -0.445396D+01  0.128432D+01  0.214383D+01
      2   0.301423D+01  0.161768D+01  0.403963D+01 -0.870365D+00
      3  -0.148016D+01  0.283627D+01 -0.532394D+01 -0.127347D+01
      4  -0.100249D+02  0.122887D+02 -0.148122D+02 -0.702122D+01
      5  -0.601891D+01  0.928203D+01 -0.449039D+01 -0.679974D+01
      6   0.686300D+01 -0.656507D+01  0.438050D+01  0.569827D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654633D-01      0.166391D+00      0.555021D+00
   x         -0.699461D-02     -0.177785D-01     -0.593028D-01
   y         -0.419830D-01     -0.106710D+00     -0.355946D+00
   z         -0.497388D-01     -0.126423D+00     -0.421703D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.113035D+03      0.167501D+02      0.186370D+02
   aniso      0.270611D+02      0.401004D+01      0.446177D+01
   xx         0.126503D+03      0.187458D+02      0.208575D+02
   yx         0.399572D+01      0.592105D+00      0.658806D+00
   yy         0.115585D+03      0.171279D+02      0.190573D+02
   zx         0.411182D+00      0.609309D-01      0.677948D-01
   zy         0.240015D+01      0.355665D+00      0.395731D+00
   zz         0.970185D+02      0.143767D+02      0.159962D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119510D+03      0.177096D+02      0.197046D+02
   aniso      0.273969D+02      0.405980D+01      0.451714D+01
   xx         0.133056D+03      0.197169D+02      0.219380D+02
   yx         0.405871D+01      0.601438D+00      0.669190D+00
   yy         0.122221D+03      0.181113D+02      0.201515D+02
   zx         0.695063D+00      0.102998D+00      0.114600D+00
   zy         0.238562D+01      0.353512D+00      0.393336D+00
   zz         0.103254D+03      0.153007D+02      0.170243D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.31315505         -0.31232063          1.90814427
     6          1.73813513         -2.03782781         -0.32973281
     6         -1.29348854          0.74004624          2.43145085
     6         -3.34170886         -0.01149217          0.60709473
     6         -5.89851730          1.08759508          1.15178788
     6         -2.93363759         -1.53756170         -1.34908162
     6         -0.45133936         -2.71447183         -2.04143417
     6          2.90039686          0.56825294         -0.29316582
     1          2.37312040         -0.76524544          3.60092051
     1          3.06458635         -3.57030424         -0.03720554
     1         -6.55362383          0.54572222          3.03762671
     1         -7.30253621          0.46650271         -0.22153506
     1         -5.83422198          3.15535156          1.12166285
     1         -0.00080883         -2.23689974         -4.00927637
     1         -0.68378311         -4.77166244         -2.03207899
     6          1.92455636          2.60281079         -2.04516912
     6          5.72415786          0.70729211          0.13526372
     1         -0.10622065          2.48853279         -2.34551613
     1          2.84513744          2.46711847         -3.89005981
     1          2.34989851          4.47554951         -1.28240874
     1          6.36686272         -0.78445880          1.40640859
     1          6.25779087          2.52185645          0.96909756
     1          6.75387928          0.50729030         -1.64580135
     1         -1.22816627          2.81190359          2.53479266
     1         -1.88224873          0.13433318          4.32236119
     1         -4.50992229         -1.99951334         -2.57993565

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654633D-01      0.166391D+00      0.555021D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.654633D-01      0.166391D+00      0.555021D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.113035D+03      0.167501D+02      0.186370D+02
   aniso      0.270611D+02      0.401004D+01      0.446177D+01
   xx         0.125773D+03      0.186377D+02      0.207372D+02
   yx        -0.956602D+00     -0.141754D+00     -0.157722D+00
   yy         0.105388D+03      0.156169D+02      0.173762D+02
   zx        -0.526577D+01     -0.780307D+00     -0.868208D+00
   zy         0.959865D+01      0.142237D+01      0.158260D+01
   zz         0.107945D+03      0.159957D+02      0.177977D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119510D+03      0.177096D+02      0.197046D+02
   aniso      0.273969D+02      0.405980D+01      0.451714D+01
   xx         0.132258D+03      0.195985D+02      0.218063D+02
   yx        -0.801531D+00     -0.118775D+00     -0.132155D+00
   yy         0.111884D+03      0.165795D+02      0.184472D+02
   zx        -0.554183D+01     -0.821214D+00     -0.913724D+00
   zy         0.976753D+01      0.144740D+01      0.161045D+01
   zz         0.114389D+03      0.169507D+02      0.188602D+02

 ----------------------------------------------------------------------
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 Happiness is a conscious choice, not an automatic response.
 -- Mildred Barthel
 Job cpu time:       0 days  9 hours 15 minutes  8.4 seconds.
 Elapsed time:       0 days  0 hours 46 minutes 23.1 seconds.
 File lengths (MBytes):  RWF=    430 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 23:15:04 2021.
